data_[Ta8Mo6]
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/m]
_cell_length_a [10.3923]
_cell_length_b [3.2326]
_cell_length_c [7.2036]
_cell_angle_alpha [90.0000]
_cell_angle_beta [98.2300]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Ta4Mo3]
_chemical_formula_sum '[Ta8 Mo6]'
_cell_volume [239.5078]
_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  4  0.0686  0.5000  0.7119  1.0
  Ta  Ta1  4  0.2063  0.5000  0.1433  1.0
  Mo  Mo2  4  0.1469  0.0000  0.4334  1.0
  Mo  Mo3  2  0.0000  0.0000  0.0000  1.0
]