data_[Ca8Bi4F4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  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 [P2_1/c]
_cell_length_a [9.1139]
_cell_length_b [6.7360]
_cell_length_c [7.1911]
_cell_angle_alpha [90.0000]
_cell_angle_beta [101.7384]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [14]
_chemical_formula_structural [Ca2BiF]
_chemical_formula_sum '[Ca8 Bi4 F4]'
_cell_volume [432.2398]
_cell_formula_units_Z [4]
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
[
  Ca  Ca0  4  0.1420  0.5064  0.7795  1.0
  Ca  Ca1  4  0.4562  0.2405  0.6174  1.0
  Bi  Bi2  4  0.2167  0.5114  0.3113  1.0
  F  F3  4  0.4005  0.0447  0.3423  1.0
]