data_[Ta2Nb12Mo6]
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 [P2_1/m]
_cell_length_a [8.0118]
_cell_length_b [4.6284]
_cell_length_c [9.7287]
_cell_angle_alpha [90.0000]
_cell_angle_beta [105.3141]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [Ta(Nb2Mo)3]
_chemical_formula_sum '[Ta2 Nb12 Mo6]'
_cell_volume [347.9514]
_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  2  0.0487  0.2500  0.4027  1
  Nb  Nb1  2  0.0551  0.7500  0.9026  1
  Nb  Nb2  2  0.1477  0.7500  0.2037  1
  Nb  Nb3  2  0.1602  0.2500  0.7054  1
  Nb  Nb4  2  0.2587  0.7500  0.5037  1
  Nb  Nb5  2  0.3547  0.2500  0.2989  1
  Nb  Nb6  2  0.4513  0.7500  0.0981  1
  Mo  Mo7  2  0.2502  0.2500  0.0015  1
  Mo  Mo8  2  0.3506  0.7500  0.8011  1
  Mo  Mo9  2  0.4500  0.2500  0.6003  1
]