data_[Zr4In4Cl4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Zr  1.3300  1.5500  0.8600
  In  1.7800  1.5500  0.9400
  Cl  3.1600  1.0000  0.7800
]
_symmetry_space_group_name_H-M [Cm]
_cell_length_a [12.6234]
_cell_length_b [3.2156]
_cell_length_c [6.7690]
_cell_angle_alpha [90.0000]
_cell_angle_beta [98.5116]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [8]
_chemical_formula_structural [ZrInCl]
_chemical_formula_sum '[Zr4 In4 Cl4]'
_cell_volume [271.7359]
_cell_formula_units_Z [4]
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
[
  Zr  Zr0  2  0.1714  0.5000  0.9187  1
  Zr  Zr1  2  0.3309  0.0000  0.3156  1
  In  In2  2  0.0344  0.0000  0.1763  1
  In  In3  2  0.4968  0.5000  0.6421  1
  Cl  Cl4  2  0.2228  0.5000  0.5320  1
  Cl  Cl5  2  0.3296  0.0000  0.9324  1
]