data_[Ta6Mo2]
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 [P-1]
_cell_length_a [5.4488]
_cell_length_b [5.4606]
_cell_length_c [5.6385]
_cell_angle_alpha [99.0944]
_cell_angle_beta [99.9780]
_cell_angle_gamma [117.8149]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [Ta3Mo]
_chemical_formula_sum '[Ta6 Mo2]'
_cell_volume [140.5350]
_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  0.0106  0.7497  0.3767  1.0
  Ta  Ta1  2  0.0111  0.2492  0.1278  1.0
  Ta  Ta2  2  0.4989  0.2424  0.8745  1.0
  Mo  Mo3  2  0.4997  0.2547  0.3755  1.0
]