data_[Zn2Ni4Mo2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Zn  1.6500  1.3500  0.8800
  Ni  1.9100  1.3500  0.7400
  Mo  2.1600  1.4500  0.7750
]
_symmetry_space_group_name_H-M [Cm]
_cell_length_a [8.7989]
_cell_length_b [2.6220]
_cell_length_c [4.5428]
_cell_angle_alpha [90.0000]
_cell_angle_beta [101.0028]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [8]
_chemical_formula_structural [ZnNi2Mo]
_chemical_formula_sum '[Zn2 Ni4 Mo2]'
_cell_volume [102.8775]
_cell_formula_units_Z [2]
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  2  0.0080  0.5000  0.5427  1
  Ni  Ni1  2  0.2566  0.0000  0.7219  1
  Ni  Ni2  2  0.4931  0.5000  0.0250  1
  Mo  Mo3  2  0.2423  0.5000  0.2104  1
]