data_[In3Te2Cl3]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  In  1.7800  1.5500  0.9400
  Te  2.1000  1.4000  1.2933
  Cl  3.1600  1.0000  0.7800
]
_symmetry_space_group_name_H-M [P1]
_cell_length_a [4.1930]
_cell_length_b [8.3435]
_cell_length_c [20.8231]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [103.7535]
_symmetry_Int_Tables_number [1]
_chemical_formula_structural [In3Te2Cl3]
_chemical_formula_sum '[In3 Te2 Cl3]'
_cell_volume [707.6052]
_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  1  0.4990  0.8737  0.5185  1
  In  In1  1  0.6730  0.2297  0.4934  1
  In  In2  1  0.8146  0.5251  0.3378  1
  Te  Te3  1  0.1953  0.2755  0.3953  1
  Te  Te4  1  0.2025  0.2893  0.5972  1
  Cl  Cl5  1  0.0504  0.9828  0.6174  1
  Cl  Cl6  1  0.3852  0.6247  0.5921  1
  Cl  Cl7  1  0.9363  0.7418  0.4483  1
]