data_KNi2Mo
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.67
_cell_length_b   4.67
_cell_length_c   6.6
_cell_angle_alpha   96.72
_cell_angle_beta   96.72
_cell_angle_gamma   33.52
_symmetry_Int_Tables_number   1
_chemical_formula_structural   KNi2Mo
_chemical_formula_sum   'K1 Ni2 Mo1'
_cell_volume   78.84
_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  0.15  0.0  0.45  1.0
  Ni  Ni2  1  0.81  0.0  0.13  1.0
  Ni  Ni3  1  0.85  0.0  0.47  1.0
  Mo  Mo1  1  0.32  0.0  0.78  1.0

data_KNi2Mo
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.69
_cell_length_b   4.67
_cell_length_c   6.6
_cell_angle_alpha   96.72
_cell_angle_beta   90.0
_cell_angle_gamma   106.76
_symmetry_Int_Tables_number   1
_chemical_formula_structural   KNi2Mo
_chemical_formula_sum   'K1 Ni2 Mo1'
_cell_volume   78.84
_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  0.85  0.55  1.0
  Ni  Ni1  1  0.0  0.15  0.53  1.0
  Ni  Ni2  1  0.0  0.19  0.87  1.0
  Mo  Mo3  1  0.0  0.68  0.22  1.0

K Ni Ni Mo