data_KBiMo2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.61
_cell_length_b   6.61
_cell_length_c   6.61
_cell_angle_alpha   154.47
_cell_angle_beta   130.96
_cell_angle_gamma   56.09
_symmetry_Int_Tables_number   1
_chemical_formula_structural   KBiMo2
_chemical_formula_sum   'K1 Bi1 Mo2'
_cell_volume   93.3
_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  0.0  1.0
  Bi  Bi0  1  0.0  0.0  0.83  1.0
  Mo  Mo2  1  0.0  0.74  0.5  1.0
  Mo  Mo3  1  0.46  0.0  0.33  1.0

data_KBiMo2
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.92
_cell_length_b   5.48
_cell_length_c   6.61
_cell_angle_alpha   114.52
_cell_angle_beta   102.77
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   KBiMo2
_chemical_formula_sum   'K1 Bi1 Mo2'
_cell_volume   93.3
_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  0.0  0.0  0.0  1.0
  Bi  Bi1  1  0.17  0.17  0.17  1.0
  Mo  Mo2  1  0.13  0.67  0.13  1.0
  Mo  Mo3  1  0.5  0.24  0.24  1.0

K Bi Mo Mo