data_[Ta4Nb12Mo8]
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 [C2/m]
_cell_length_a [13.7705]
_cell_length_b [4.6271]
_cell_length_c [7.4708]
_cell_angle_alpha [90.0000]
_cell_angle_beta [114.7428]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [TaNb3Mo2]
_chemical_formula_sum '[Ta4 Nb12 Mo8]'
_cell_volume [432.3202]
_cell_formula_units_Z [4]
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  0.1344  0.0000  0.1895  1
  Nb  Nb1  4  0.0505  0.0000  0.7185  1
  Nb  Nb2  4  0.1188  0.5000  0.5489  1
  Nb  Nb3  4  0.1930  0.5000  0.9523  1
  Mo  Mo4  4  0.0226  0.5000  0.1772  1
  Mo  Mo5  4  0.2390  0.0000  0.6520  1
]