data_[Zr10Mo2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Zr  1.3300  1.5500  0.8600
  Mo  2.1600  1.4500  0.7750
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [11.0969]
_cell_length_b [3.4151]
_cell_length_c [7.3477]
_cell_angle_alpha [90.0000]
_cell_angle_beta [109.6812]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Zr5Mo]
_chemical_formula_sum '[Zr10 Mo2]'
_cell_volume [262.1917]
_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
[
  Zr  Zr0  4  0.1457  0.5000  0.8531  1.0
  Zr  Zr1  4  0.1661  0.5000  0.3099  1.0
  Zr  Zr2  2  0.0000  0.0000  0.5000  1.0
  Mo  Mo3  2  0.0000  0.0000  0.0000  1.0
]