data_[In2Mo2P4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  In  1.7800  1.5500  0.9400
  Mo  2.1600  1.4500  0.7750
  P  2.1900  1.0000  0.5500
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [8.2855]
_cell_length_b [3.2295]
_cell_length_c [5.3239]
_cell_angle_alpha [90.0000]
_cell_angle_beta [96.1540]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [InMoP2]
_chemical_formula_sum '[In2 Mo2 P4]'
_cell_volume [141.6352]
_cell_formula_units_Z [2]
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
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
[
  In  In0  2  0.0000  0.0000  0.5000  1
  Mo  Mo1  2  0.0000  0.5000  0.0000  1
  P  P2  4  0.2207  0.0000  0.1630  1
]