data_[K12Mg4Bi4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  K  0.8200  2.2000  1.5200
  Mg  1.3100  1.5000  0.8600
  Bi  2.0200  1.6000  1.0350
]
_symmetry_space_group_name_H-M [Imma]
_cell_length_a [7.8886]
_cell_length_b [13.8580]
_cell_length_c [8.7559]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [74]
_chemical_formula_structural [K3MgBi]
_chemical_formula_sum '[K12 Mg4 Bi4]'
_cell_volume [957.1871]
_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
[
  K  K0  8  0.2500  0.0091  0.7500  1
  K  K1  4  0.0000  0.2500  0.5961  1
  Mg  Mg2  4  0.2500  0.2500  0.2500  1
  Bi  Bi3  4  0.0000  0.2500  0.0078  1
]