data_K2Mo
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.83
_cell_length_b   6.83
_cell_length_c   6.83
_cell_angle_alpha   148.44
_cell_angle_beta   129.16
_cell_angle_gamma   61.09
_symmetry_Int_Tables_number   1
_chemical_formula_structural   K2Mo
_chemical_formula_sum   'K2 Mo1'
_cell_volume   128.0
_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  0.03  1.0
  K  K1  1  0.0  0.0  0.73  1.0
  Mo  Mo2  1  0.0  0.0  0.0  1.0

data_K2Mo
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.71
_cell_length_b   5.86
_cell_length_c   6.83
_cell_angle_alpha   115.42
_cell_angle_beta   105.78
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   K2Mo
_chemical_formula_sum   'K2 Mo1'
_cell_volume   128.0
_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  0.03  0.03  1.0
  K  K1  1  0.0  0.73  0.73  1.0
  Mo  Mo2  1  0.0  0.0  0.0  1.0

K K Mo
K K Mo 0 2 o o o 0 1 o o - 1 2 o o + 