data_[Ta6Nb2Mo2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ta  1.5000  1.4500  0.8200
  Nb  1.6000  1.4500  0.8200
  Mo  2.1600  1.4500  0.7750
]
_symmetry_space_group_name_H-M [P2_1/m]
_cell_length_a [3.0737]
_cell_length_b [8.4997]
_cell_length_c [7.1385]
_cell_angle_alpha [90.0000]
_cell_angle_beta [92.5803]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [Ta3NbMo]
_chemical_formula_sum '[Ta6 Nb2 Mo2]'
_cell_volume [186.3088]
_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  0.1216  0.5610  0.3280  1
  Ta  Ta1  2  0.0107  0.2500  0.0331  1
  Nb  Nb2  2  0.4908  0.2500  0.3762  1
  Mo  Mo3  2  0.5000  0.0000  0.0000  1
]