data_[Cs1Cu1As1F6]
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
  F  3.9800  0.5000  0.7050
]
_symmetry_space_group_name_H-M [P1]
_cell_length_a [5.5543]
_cell_length_b [5.7382]
_cell_length_c [6.0988]
_cell_angle_alpha [90.8918]
_cell_angle_beta [90.2739]
_cell_angle_gamma [114.1253]
_symmetry_Int_Tables_number [1]
_chemical_formula_structural [CsCuAsF6]
_chemical_formula_sum '[Cs1 Cu1 As1 F6]'
_cell_volume [177.3673]
_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  0.9641  0.9815  0.9729  1
  Cu  Cu1  1  0.3027  0.6613  0.4946  1
  As  As2  1  0.6530  0.3124  0.4888  1
  F  F3  1  0.0285  0.6633  0.3133  1
  F  F4  1  0.0527  0.4587  0.7019  1
  F  F5  1  0.3558  0.2846  0.3322  1
  F  F6  1  0.4764  0.1135  0.7181  1
  F  F7  1  0.5697  0.9336  0.3400  1
  F  F8  1  0.5972  0.5912  0.6384  1
]