data_KBiMo
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.0
_cell_length_b   7.0
_cell_length_c   7.0
_cell_angle_alpha   149.26
_cell_angle_beta   149.26
_cell_angle_gamma   44.03
_symmetry_Int_Tables_number   1
_chemical_formula_structural   KBiMo
_chemical_formula_sum   'K1 Bi1 Mo1'
_cell_volume   89.17
_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  0.0  0.0  0.3  1.0
  Bi  Bi0  1  0.0  0.0  0.53  1.0
  Mo  Mo2  1  0.0  0.0  0.13  1.0

data_KBiMo
_symmetry_space_group_name_H-M   Cm
_cell_length_a   5.24
_cell_length_b   5.24
_cell_length_c   7.0
_cell_angle_alpha   90.0
_cell_angle_beta   112.01
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   KBiMo
_chemical_formula_sum   'K2 Bi2 Mo2'
_cell_volume   178.33
_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  0.7  1.0
  Bi  Bi1  2  0.0  0.0  0.47  1.0
  Mo  Mo2  2  0.0  0.0  0.87  1.0

K Bi Mo
K Bi Mo 0 2 o o o 0 1 o o o 