data_[Ba8Mg4Cu4Bi8F56]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ba  0.8900  2.1500  1.4900
  Mg  1.3100  1.5000  0.8600
  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 [C2/c]
_cell_length_a [14.5973]
_cell_length_b [5.3574]
_cell_length_c [16.1458]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0244]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [Ba2MgCuBi2F14]
_chemical_formula_sum '[Ba8 Mg4 Cu4 Bi8 F56]'
_cell_volume [1262.6550]
_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  8  0.1808  0.1019  0.8725  1
  Mg  Mg1  4  0.0000  0.4375  0.2500  1
  Cu  Cu2  4  0.0000  0.5000  0.0000  1
  Bi  Bi3  8  0.1082  0.0535  0.6224  1
  F  F4  8  0.0172  0.1633  0.3284  1
  F  F5  8  0.0240  0.3714  0.8912  1
  F  F6  8  0.0750  0.2018  0.4852  1
  F  F7  8  0.1029  0.3330  0.7374  1
  F  F8  8  0.1483  0.2797  0.0447  1
  F  F9  8  0.1782  0.1743  0.2194  1
  F  F10  8  0.2454  0.3515  0.3979  1
]