data_KMnBi2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.62
_cell_length_b   5.62
_cell_length_c   5.62
_cell_angle_alpha   125.09
_cell_angle_beta   125.09
_cell_angle_gamma   81.4
_symmetry_Int_Tables_number   1
_chemical_formula_structural   KMnBi2
_chemical_formula_sum   'K1 Mn1 Bi2'
_cell_volume   114.41
_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  K2  1  0.0  0.0  0.0  1.0
  Mn  Mn3  1  0.0  0.0  0.26  1.0
  Bi  Bi0  1  0.0  0.59  0.13  1.0
  Bi  Bi1  1  0.59  0.0  0.13  1.0

data_KMnBi2
_symmetry_space_group_name_H-M   Cm
_cell_length_a   7.33
_cell_length_b   7.33
_cell_length_c   5.62
_cell_angle_alpha   90.0
_cell_angle_beta   130.7
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   KMnBi2
_chemical_formula_sum   'K2 Mn2 Bi4'
_cell_volume   228.81
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  'x, -y, z'
  3  'x+1/2, y+1/2, z'
  4  'x+1/2, -y+1/2, 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  2  0.0  0.0  0.0  1.0
  Mn  Mn1  2  0.0  0.0  0.26  1.0
  Bi  Bi2  4  0.2  0.2  0.54  1.0

K Mn Bi Bi