data_[Ta8Mo8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ta  1.5000  1.4500  0.8200
  Mo  2.1600  1.4500  0.7750
]
_symmetry_space_group_name_H-M [C2/c]
_cell_length_a [5.5677]
_cell_length_b [9.1818]
_cell_length_c [5.6187]
_cell_angle_alpha [90.0000]
_cell_angle_beta [109.4287]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [TaMo]
_chemical_formula_sum '[Ta8 Mo8]'
_cell_volume [270.8779]
_cell_formula_units_Z [8]
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
[
  Ta  Ta0  4  0.0000  0.4927  0.7500  1.0
  Ta  Ta1  4  0.2500  0.2500  0.5000  1.0
  Mo  Mo2  4  0.0000  0.0036  0.7500  1.0
  Mo  Mo3  4  0.2500  0.2500  0.0000  1.0
]