data_[Ba4Ca4Bi4F28]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ba  0.8900  2.1500  1.4900
  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 [5.9976]
_cell_length_b [10.8107]
_cell_length_c [10.0013]
_cell_angle_alpha [90.0000]
_cell_angle_beta [92.6548]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [14]
_chemical_formula_structural [BaCaBiF7]
_chemical_formula_sum '[Ba4 Ca4 Bi4 F28]'
_cell_volume [647.7672]
_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
[
  Ba  Ba0  4  0.2476  0.6884  0.4988  1
  Ca  Ca1  4  0.2845  0.0954  0.7048  1
  Bi  Bi2  4  0.2176  0.0924  0.3065  1
  F  F3  4  0.0046  0.2387  0.7309  1
  F  F4  4  0.0228  0.0057  0.8565  1
  F  F5  4  0.1202  0.5695  0.1028  1
  F  F6  4  0.2382  0.2112  0.4999  1
  F  F7  4  0.3841  0.5792  0.9009  1
  F  F8  4  0.4766  0.0076  0.1431  1
  F  F9  4  0.4988  0.2386  0.2782  1
]