data_[In3P1Cl3]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  In  1.7800  1.5500  0.9400
  P  2.1900  1.0000  0.5500
  Cl  3.1600  1.0000  0.7800
]
_symmetry_space_group_name_H-M [Pm]
_cell_length_a [6.1487]
_cell_length_b [19.1062]
_cell_length_c [7.0125]
_cell_angle_alpha [90.0000]
_cell_angle_beta [115.7524]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [6]
_chemical_formula_structural [In3PCl3]
_chemical_formula_sum '[In3 P1 Cl3]'
_cell_volume [741.9937]
_cell_formula_units_Z [1]
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  0.6741  0.3925  0.1753  1
  In  In1  1  0.4033  0.5000  0.5824  1
  P  P2  1  0.4277  0.5000  0.9407  1
  Cl  Cl3  2  0.2147  0.3986  0.3476  1
  Cl  Cl4  1  0.7751  0.5000  0.5070  1
]