data_[Cr4As2Cl6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Cr  1.6600  1.4000  0.9400
  As  2.1800  1.1500  0.6600
  Cl  3.1600  1.0000  0.7800
]
_symmetry_space_group_name_H-M [Pc]
_cell_length_a [6.9589]
_cell_length_b [20.7224]
_cell_length_c [6.7283]
_cell_angle_alpha [90.0000]
_cell_angle_beta [117.6631]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [7]
_chemical_formula_structural [Cr2AsCl3]
_chemical_formula_sum '[Cr4 As2 Cl6]'
_cell_volume [859.3424]
_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
[
  Cr  Cr0  2  0.2313  0.0646  0.7958  1
  Cr  Cr1  2  0.7407  0.0733  0.8234  1
  As  As2  2  0.0871  0.0198  0.0295  1
  Cl  Cl3  2  0.4155  0.1381  0.6685  1
  Cl  Cl4  2  0.5848  0.0272  0.0384  1
  Cl  Cl5  2  0.9146  0.1291  0.6444  1
]