data_KMo2Cl
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.34
_cell_length_b   3.2
_cell_length_c   8.48
_cell_angle_alpha   90.0
_cell_angle_beta   98.13
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   KMo2Cl
_chemical_formula_sum   'K1 Mo2 Cl1'
_cell_volume   89.74
_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  0.11  0.6  0.33  1.0
  Mo  Mo2  1  0.04  0.0  0.76  1.0
  Mo  Mo3  1  0.44  0.6  0.54  1.0
  Cl  Cl0  1  0.42  0.0  0.35  1.0

data_KMo2Cl
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.2
_cell_length_b   3.34
_cell_length_c   8.48
_cell_angle_alpha   98.13
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   KMo2Cl
_chemical_formula_sum   'K1 Mo2 Cl1'
_cell_volume   89.74
_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  0.4  0.89  0.67  1.0
  Mo  Mo1  1  0.0  0.96  0.24  1.0
  Mo  Mo2  1  0.4  0.56  0.46  1.0
  Cl  Cl3  1  0.0  0.58  0.65  1.0

K Mo Mo Cl