data_[Ta9Nb6Mo24]
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 [R-3m]
_cell_length_a [5.2460]
_cell_length_b [5.2460]
_cell_length_c [29.1767]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [166]
_chemical_formula_structural [Ta3(NbMo4)2]
_chemical_formula_sum '[Ta9 Nb6 Mo24]'
_cell_volume [695.3924]
_cell_formula_units_Z [3]
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  6  0.0000  0.0000  0.1831  1
  Ta  Ta1  3  0.0000  0.0000  0.0000  1
  Nb  Nb2  6  0.0000  0.0000  0.3592  1
  Mo  Mo3  18  0.0000  0.5000  0.2291  1
  Mo  Mo4  6  0.0000  0.0000  0.2746  1
]