data_[Ta4Nb6Mo8]
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 [11.4730]
_cell_length_b [8.8010]
_cell_length_c [3.1566]
_cell_angle_alpha [90.0000]
_cell_angle_beta [91.6536]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Ta2Nb3Mo4]
_chemical_formula_sum '[Ta4 Nb6 Mo8]'
_cell_volume [318.5985]
_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  0.2078  0.5000  0.1709  1
  Nb  Nb1  4  0.0965  0.0000  0.2686  1
  Nb  Nb2  2  0.0000  0.5000  0.5000  1
  Mo  Mo3  8  0.1259  0.2538  0.7519  1
]