data_[Ta6Mo6]
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 [Cm]
_cell_length_a [9.7193]
_cell_length_b [4.5503]
_cell_length_c [5.6388]
_cell_angle_alpha [90.0000]
_cell_angle_beta [125.3815]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [8]
_chemical_formula_structural [TaMo]
_chemical_formula_sum '[Ta6 Mo6]'
_cell_volume [203.3262]
_cell_formula_units_Z [6]
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  2  0.1618  0.5000  0.9996  1.0
  Ta  Ta1  2  0.1708  0.5000  0.5088  1.0
  Ta  Ta2  2  0.3336  0.0000  0.9921  1.0
  Mo  Mo3  2  0.0030  0.0000  0.0063  1.0
  Mo  Mo4  2  0.3339  0.0000  0.4950  1.0
  Mo  Mo5  2  0.4969  0.5000  0.4982  1.0
]