data_[Ca8Mg4Bi8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ca  1.0000  1.8000  1.1400
  Mg  1.3100  1.5000  0.8600
  Bi  2.0200  1.6000  1.0350
]
_symmetry_space_group_name_H-M [P2_1/c]
_cell_length_a [9.7119]
_cell_length_b [8.4213]
_cell_length_c [7.9077]
_cell_angle_alpha [90.0000]
_cell_angle_beta [91.8761]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [14]
_chemical_formula_structural [Ca2MgBi2]
_chemical_formula_sum '[Ca8 Mg4 Bi8]'
_cell_volume [646.3971]
_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  0.0916  0.7449  0.0072  1
  Ca  Ca1  4  0.3421  0.2075  0.4921  1
  Mg  Mg2  4  0.3795  0.5830  0.3380  1
  Bi  Bi3  4  0.1229  0.0691  0.7548  1
  Bi  Bi4  4  0.3683  0.5890  0.7267  1
]