data_[Zr2Mo10]
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 [10.2213]
_cell_length_b [3.2154]
_cell_length_c [6.4403]
_cell_angle_alpha [90.0000]
_cell_angle_beta [108.4315]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [ZrMo5]
_chemical_formula_sum '[Zr2 Mo10]'
_cell_volume [200.8054]
_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  2  0.0000  0.0000  0.0000  1.0
  Mo  Mo1  4  0.1700  0.5000  0.8280  1.0
  Mo  Mo2  4  0.1726  0.5000  0.3428  1.0
  Mo  Mo3  2  0.0000  0.0000  0.5000  1.0
]