data_K2BiMo
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.6
_cell_length_b   5.67
_cell_length_c   6.26
_cell_angle_alpha   90.0
_cell_angle_beta   90.8
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   K2BiMo
_chemical_formula_sum   'K2 Bi1 Mo1'
_cell_volume   127.68
_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  0.75  0.84  0.68  1.0
  K  K2  1  0.76  0.84  0.58  1.0
  Bi  Bi0  1  0.96  0.0  0.13  1.0
  Mo  Mo3  1  0.0  0.0  0.0  1.0

data_K2BiMo
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.6
_cell_length_b   5.67
_cell_length_c   6.26
_cell_angle_alpha   90.0
_cell_angle_beta   90.8
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   K2BiMo
_chemical_formula_sum   'K2 Bi1 Mo1'
_cell_volume   127.68
_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  0.75  0.84  0.68  1.0
  K  K1  1  0.76  0.84  0.58  1.0
  Bi  Bi2  1  0.96  0.0  0.13  1.0
  Mo  Mo3  1  0.0  0.0  0.0  1.0

K K Bi Mo
K K Bi Mo 0 1 o o o 2 3 + o o 