data_[Ta6Mo10]
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 [9.6425]
_cell_length_b [4.5511]
_cell_length_c [6.4560]
_cell_angle_alpha [90.0000]
_cell_angle_beta [109.6509]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [8]
_chemical_formula_structural [Ta3Mo5]
_chemical_formula_sum '[Ta6 Mo10]'
_cell_volume [266.8179]
_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
[
  Ta  Ta0  2  0.0029  0.0000  0.5085  1.0
  Ta  Ta1  2  0.2510  0.5000  0.1208  1.0
  Ta  Ta2  2  0.4959  0.0000  0.2464  1.0
  Mo  Mo3  2  0.0020  0.0000  0.9976  1.0
  Mo  Mo4  2  0.2492  0.5000  0.6267  1.0
  Mo  Mo5  2  0.2500  0.0000  0.8721  1.0
  Mo  Mo6  2  0.2503  0.0000  0.3773  1.0
  Mo  Mo7  2  0.4986  0.0000  0.7507  1.0
]