# generated using pymatgen
data_InP
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.16811065
_cell_length_b   4.16811065
_cell_length_c   6.83999007
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   120.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   InP
_chemical_formula_sum   'In2 P2'
_cell_volume   102.91165981
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
loop_
 _atom_type_symbol
 _atom_type_oxidation_number
  In3+  3.0
  P3-  -3.0
loop_
 _atom_site_type_symbol
 _atom_site_label
 _atom_site_symmetry_multiplicity
 _atom_site_fract_x
 _atom_site_fract_y
 _atom_site_fract_z
 _atom_site_occupancy
  In3+  In0  1  0.66666667  0.33333333  0.50019625  1
  In3+  In1  1  0.33333333  0.66666667  0.00019625  1
  P3-  P2  1  0.66666667  0.33333333  0.87480475  1
  P3-  P3  1  0.33333333  0.66666667  0.37480475  1