data_[Cs1Cu1As1Cl6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Cs  0.7900  2.6000  1.8100
  Cu  1.9000  1.3500  0.8200
  As  2.1800  1.1500  0.6600
  Cl  3.1600  1.0000  0.7800
]
_symmetry_space_group_name_H-M [P1]
_cell_length_a [6.7086]
_cell_length_b [7.0602]
_cell_length_c [7.4308]
_cell_angle_alpha [88.5652]
_cell_angle_beta [65.1780]
_cell_angle_gamma [83.1563]
_symmetry_Int_Tables_number [1]
_chemical_formula_structural [CsCuAsCl6]
_chemical_formula_sum '[Cs1 Cu1 As1 Cl6]'
_cell_volume [317.0423]
_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
[
  Cs  Cs0  1  0.9965  0.9924  0.9666  1.0
  Cu  Cu1  1  0.7429  0.5073  0.5270  1.0
  As  As2  1  0.3391  0.4979  0.3252  1.0
  Cl  Cl3  1  0.3344  0.2948  0.0919  1.0
  Cl  Cl4  1  0.4310  0.7036  0.6030  1.0
  Cl  Cl5  1  0.5668  0.6816  0.0877  1.0
  Cl  Cl6  1  0.6259  0.2715  0.3964  1.0
  Cl  Cl7  1  0.9789  0.3178  0.6105  1.0
  Cl  Cl8  1  0.9845  0.7331  0.3920  1.0
]