data_[Na2Cu1Bi1F8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Na  0.9300  1.8000  1.1600
  Cu  1.9000  1.3500  0.8200
  Bi  2.0200  1.6000  1.0350
  F  3.9800  0.5000  0.7050
]
_symmetry_space_group_name_H-M [P-1]
_cell_length_a [3.8873]
_cell_length_b [5.4089]
_cell_length_c [8.2583]
_cell_angle_alpha [84.3933]
_cell_angle_beta [89.9550]
_cell_angle_gamma [86.0068]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [Na2CuBiF8]
_chemical_formula_sum '[Na2 Cu1 Bi1 F8]'
_cell_volume [172.3864]
_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
[
  Na  Na0  2  0.4974  0.4745  0.7687  1.0
  Cu  Cu1  1  0.0000  0.0000  0.0000  1.0
  Bi  Bi2  1  0.0000  0.0000  0.5000  1.0
  F  F3  2  0.0201  0.3261  0.3101  1.0
  F  F4  2  0.0450  0.1475  0.7963  1.0
  F  F5  2  0.3545  0.7717  0.9754  1.0
  F  F6  2  0.4940  0.2146  0.5633  1.0
]