data_KLiMo2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.42
_cell_length_b   6.42
_cell_length_c   6.42
_cell_angle_alpha   153.54
_cell_angle_beta   139.43
_cell_angle_gamma   49.09
_symmetry_Int_Tables_number   1
_chemical_formula_structural   KLiMo2
_chemical_formula_sum   'K1 Li1 Mo2'
_cell_volume   76.35
_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  0.84  1.0
  Li  Li1  1  0.0  0.0  0.0  1.0
  Mo  Mo2  1  0.0  0.23  0.15  1.0
  Mo  Mo3  1  0.47  0.0  0.69  1.0

data_KLiMo2
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.94
_cell_length_b   4.45
_cell_length_c   6.42
_cell_angle_alpha   110.29
_cell_angle_beta   103.23
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   KLiMo2
_chemical_formula_sum   'K1 Li1 Mo2'
_cell_volume   76.35
_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  0.84  0.84  1.0
  Li  Li1  1  0.0  0.0  0.0  1.0
  Mo  Mo2  1  0.0  0.69  0.22  1.0
  Mo  Mo3  1  0.77  0.92  0.92  1.0

K Li Mo Mo