data_[K1Mg6Bi4]
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 [P-6m2]
_cell_length_a [9.0578]
_cell_length_b [9.0578]
_cell_length_c [4.5237]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [187]
_chemical_formula_structural [K(Mg3Bi2)2]
_chemical_formula_sum '[K1 Mg6 Bi4]'
_cell_volume [321.4242]
_cell_formula_units_Z [1]
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  1  0.0000  0.0000  0.0000  1
  Mg  Mg1  3  0.1937  0.3875  0.5000  1
  Mg  Mg2  3  0.5440  0.0880  0.0000  1
  Bi  Bi3  3  0.3738  0.1869  0.5000  1
  Bi  Bi4  1  0.3333  0.6667  0.0000  1
]