data_KLiMo
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.6
_cell_length_b   5.6
_cell_length_c   2.72
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   KLiMo
_chemical_formula_sum   'K1 Li1 Mo1'
_cell_volume   73.85
_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  1.0  0.24  0.03  1.0
  Li  Li1  1  0.0  0.0  0.88  1.0
  Mo  Mo2  1  0.8  0.62  0.8  1.0

data_KLiMo
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.72
_cell_length_b   5.6
_cell_length_c   5.6
_cell_angle_alpha   120.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   KLiMo
_chemical_formula_sum   'K1 Li1 Mo1'
_cell_volume   73.85
_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  0.03  1.0  0.24  1.0
  Li  Li1  1  0.88  0.0  0.0  1.0
  Mo  Mo2  1  0.8  0.8  0.62  1.0

K Li Mo