data_[Ta8Nb6Mo4]
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 [P-1]
_cell_length_a [5.5932]
_cell_length_b [7.4118]
_cell_length_c [8.4781]
_cell_angle_alpha [76.2292]
_cell_angle_beta [71.0752]
_cell_angle_gamma [75.5138]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [Ta4Nb3Mo2]
_chemical_formula_sum '[Ta8 Nb6 Mo4]'
_cell_volume [317.1413]
_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  0.0805  0.1619  0.0635  1
  Ta  Ta1  2  0.0833  0.1750  0.7158  1
  Ta  Ta2  2  0.2488  0.4967  0.8388  1
  Ta  Ta3  2  0.4168  0.8320  0.6116  1
  Nb  Nb4  2  0.2498  0.5082  0.4941  1
  Nb  Nb5  2  0.4157  0.8415  0.2760  1
  Nb  Nb6  2  0.4160  0.8239  0.9475  1
  Mo  Mo7  2  0.0824  0.1676  0.3881  1
  Mo  Mo8  2  0.2472  0.4978  0.1680  1
]