data_[Zn10Mo2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Zn  1.6500  1.3500  0.8800
  Mo  2.1600  1.4500  0.7750
]
_symmetry_space_group_name_H-M [Cm]
_cell_length_a [10.2096]
_cell_length_b [2.6812]
_cell_length_c [6.7184]
_cell_angle_alpha [90.0000]
_cell_angle_beta [104.8276]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [8]
_chemical_formula_structural [Zn5Mo]
_chemical_formula_sum '[Zn10 Mo2]'
_cell_volume [177.7837]
_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  0.0547  0.0000  0.6204  1.0
  Zn  Zn1  2  0.1644  0.5000  0.3378  1.0
  Zn  Zn2  2  0.2263  0.5000  0.9487  1.0
  Zn  Zn3  2  0.3317  0.0000  0.6594  1.0
  Zn  Zn4  2  0.3914  0.0000  0.2738  1.0
  Mo  Mo5  2  0.4981  0.5000  0.9932  1.0
]