data_[Ta6Nb4Mo6]
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 [Immm]
_cell_length_a [3.2343]
_cell_length_b [4.6356]
_cell_length_c [18.3827]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [71]
_chemical_formula_structural [Ta3Nb2Mo3]
_chemical_formula_sum '[Ta6 Nb4 Mo6]'
_cell_volume [275.6118]
_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  0.0000  0.0000  0.3786  1.0
  Ta  Ta1  2  0.0000  0.5000  0.5000  1.0
  Nb  Nb2  4  0.0000  0.5000  0.2537  1.0
  Mo  Mo3  4  0.0000  0.0000  0.1243  1.0
  Mo  Mo4  2  0.0000  0.5000  0.0000  1.0
]