data_[In6Mo3P3]
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 [R3m]
_cell_length_a [3.2403]
_cell_length_b [3.2403]
_cell_length_c [26.9575]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [160]
_chemical_formula_structural [In2MoP]
_chemical_formula_sum '[In6 Mo3 P3]'
_cell_volume [245.1173]
_cell_formula_units_Z [3]
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  3  0.0000  0.0000  0.7605  1
  In  In1  3  0.0000  0.0000  0.9942  1
  Mo  Mo2  3  0.0000  0.0000  0.5116  1
  P  P3  3  0.0000  0.0000  0.2337  1
]