data_KLaMo
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.54
_cell_length_b   7.54
_cell_length_c   7.54
_cell_angle_alpha   154.83
_cell_angle_beta   145.25
_cell_angle_gamma   43.39
_symmetry_Int_Tables_number   1
_chemical_formula_structural   KLaMo
_chemical_formula_sum   'K1 La1 Mo1'
_cell_volume   103.5
_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  0.04  1.0
  La  La1  1  0.0  0.0  0.62  1.0
  Mo  Mo2  1  0.0  0.0  0.34  1.0

data_KLaMo
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.28
_cell_length_b   4.5
_cell_length_c   7.54
_cell_angle_alpha   107.37
_cell_angle_beta   102.59
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   KLaMo
_chemical_formula_sum   'K1 La1 Mo1'
_cell_volume   103.5
_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  0.96  0.96  0.96  1.0
  La  La1  1  0.38  0.38  0.38  1.0
  Mo  Mo2  1  0.66  0.66  0.66  1.0

K La Mo
K La Mo 0 2 o o o 1 2 o o o 