data_KMnMo2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.12
_cell_length_b   6.12
_cell_length_c   6.12
_cell_angle_alpha   155.57
_cell_angle_beta   127.39
_cell_angle_gamma   58.82
_symmetry_Int_Tables_number   1
_chemical_formula_structural   KMnMo2
_chemical_formula_sum   'K1 Mn1 Mo2'
_cell_volume   74.85
_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  0.0  0.0  0.0  1.0
  Mn  Mn1  1  0.0  0.0  0.33  1.0
  Mo  Mo2  1  0.0  0.71  0.15  1.0
  Mo  Mo3  1  0.29  0.0  0.18  1.0

data_KMnMo2
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.59
_cell_length_b   5.42
_cell_length_c   6.12
_cell_angle_alpha   116.31
_cell_angle_beta   102.22
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   KMnMo2
_chemical_formula_sum   'K1 Mn1 Mo2'
_cell_volume   74.85
_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  0.0  0.0  0.0  1.0
  Mn  Mn1  1  0.67  0.67  0.67  1.0
  Mo  Mo2  1  0.11  0.82  0.11  1.0
  Mo  Mo3  1  0.85  0.56  0.56  1.0

K Mn Mo Mo