data_[Ta4Nb4Mo12]
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 [9.6252]
_cell_length_b [4.5638]
_cell_length_c [7.9228]
_cell_angle_alpha [90.0000]
_cell_angle_beta [105.9721]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [TaNbMo3]
_chemical_formula_sum '[Ta4 Nb4 Mo12]'
_cell_volume [334.5877]
_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  0.0531  0.5000  0.3501  1.0
  Nb  Nb1  4  0.0532  0.0000  0.8517  1.0
  Mo  Mo2  4  0.1484  0.0000  0.5505  1.0
  Mo  Mo3  4  0.1488  0.5000  0.0488  1.0
  Mo  Mo4  4  0.2497  0.0000  0.2517  1.0
]