data_KNiMo2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.82
_cell_length_b   2.82
_cell_length_c   9.75
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   108.33
_symmetry_Int_Tables_number   1
_chemical_formula_structural   KNiMo2
_chemical_formula_sum   'K1 Ni1 Mo2'
_cell_volume   73.53
_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  0.65  1.0
  Ni  Ni3  1  0.65  0.0  0.33  1.0
  Mo  Mo1  1  0.65  0.0  0.23  1.0
  Mo  Mo2  1  0.0  0.0  0.17  1.0

data_KNiMo2
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.82
_cell_length_b   2.82
_cell_length_c   9.75
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   108.33
_symmetry_Int_Tables_number   1
_chemical_formula_structural   KNiMo2
_chemical_formula_sum   'K1 Ni1 Mo2'
_cell_volume   73.53
_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  0.65  1.0
  Ni  Ni1  1  0.65  0.0  0.33  1.0
  Mo  Mo2  1  0.0  0.0  0.17  1.0
  Mo  Mo3  1  0.65  0.0  0.23  1.0

K Ni Mo Mo
K Ni Mo Mo 0 0 + + o 0 0 o + o 0 0 + o o 0 1 - o o 1 2 o o o 2 3 + o o 