data_[Na2Ca1Bi1F8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Na  0.9300  1.8000  1.1600
  Ca  1.0000  1.8000  1.1400
  Bi  2.0200  1.6000  1.0350
  F  3.9800  0.5000  0.7050
]
_symmetry_space_group_name_H-M [Pmmm]
_cell_length_a [3.9049]
_cell_length_b [5.5957]
_cell_length_c [7.8247]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [47]
_chemical_formula_structural [Na2CaBiF8]
_chemical_formula_sum '[Na2 Ca1 Bi1 F8]'
_cell_volume [170.9750]
_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  0.5000  0.5000  0.2283  1.0
  Ca  Ca1  1  0.0000  0.0000  0.0000  1.0
  Bi  Bi2  1  0.0000  0.0000  0.5000  1.0
  F  F3  4  0.0000  0.2353  0.2696  1.0
  F  F4  2  0.5000  0.2216  0.5000  1.0
  F  F5  2  0.5000  0.2384  0.0000  1.0
]