data_[Ta6Nb8Mo8]
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 [28.9761]
_cell_length_b [4.5692]
_cell_length_c [2.8726]
_cell_angle_alpha [90.0000]
_cell_angle_beta [93.1247]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Ta3(NbMo)4]
_chemical_formula_sum '[Ta6 Nb8 Mo8]'
_cell_volume [379.7670]
_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  0.1372  0.5000  0.5759  1
  Ta  Ta1  2  0.0000  0.0000  0.5000  1
  Nb  Nb2  4  0.0462  0.5000  0.8824  1
  Nb  Nb3  4  0.1842  0.0000  0.9654  1
  Mo  Mo4  4  0.0915  0.0000  0.2216  1
  Mo  Mo5  4  0.2283  0.5000  0.3188  1
]