data_K2MgBi
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.41
_cell_length_b   6.41
_cell_length_c   3.73
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   106.11
_symmetry_Int_Tables_number   1
_chemical_formula_structural   K2MgBi
_chemical_formula_sum   'K2 Mg1 Bi1'
_cell_volume   147.56
_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  K1  1  0.93  0.44  0.87  1.0
  K  K2  1  0.93  0.56  0.87  1.0
  Mg  Mg3  1  0.0  0.0  0.0  1.0
  Bi  Bi0  1  0.86  0.0  0.0  1.0

data_K2MgBi
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.73
_cell_length_b   6.41
_cell_length_c   6.41
_cell_angle_alpha   106.11
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   K2MgBi
_chemical_formula_sum   'K2 Mg1 Bi1'
_cell_volume   147.56
_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  0.87  0.93  0.44  1.0
  K  K1  1  0.87  0.93  0.56  1.0
  Mg  Mg2  1  0.0  0.0  0.0  1.0
  Bi  Bi3  1  0.0  0.86  0.0  1.0

K K Mg Bi
K K Mg Bi 0 1 o o o 2 3 - o o 