data_ZnNiMo2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.76
_cell_length_b   4.76
_cell_length_c   4.76
_cell_angle_alpha   133.06
_cell_angle_beta   133.06
_cell_angle_gamma   68.56
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ZnNiMo2
_chemical_formula_sum   'Zn1 Ni1 Mo2'
_cell_volume   56.64
_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
  Zn  Zn3  1  0.9  0.0  0.97  1.0
  Ni  Ni2  1  0.0  0.0  0.0  1.0
  Mo  Mo0  1  0.0  0.0  0.94  1.0
  Mo  Mo1  1  0.0  0.9  0.97  1.0

data_ZnNiMo2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.79
_cell_length_b   3.79
_cell_length_c   4.76
_cell_angle_alpha   113.47
_cell_angle_beta   113.47
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ZnNiMo2
_chemical_formula_sum   'Zn1 Ni1 Mo2'
_cell_volume   56.64
_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
  Zn  Zn0  1  0.97  0.07  0.07  1.0
  Ni  Ni1  1  0.0  0.0  0.0  1.0
  Mo  Mo2  1  0.07  0.97  0.07  1.0
  Mo  Mo3  1  0.94  0.94  0.94  1.0

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