data_[Ta8Mo24]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ta  1.5000  1.4500  0.8200
  Mo  2.1600  1.4500  0.7750
]
_symmetry_space_group_name_H-M [Cm]
_cell_length_a [9.0760]
_cell_length_b [9.0448]
_cell_length_c [6.4155]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.1012]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [8]
_chemical_formula_structural [TaMo3]
_chemical_formula_sum '[Ta8 Mo24]'
_cell_volume [526.6450]
_cell_formula_units_Z [8]
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  0.0032  0.5000  0.4973  1.0
  Ta  Ta1  2  0.2526  0.0000  0.7528  1.0
  Ta  Ta2  2  0.4972  0.5000  0.0026  1.0
  Ta  Ta3  2  0.4975  0.5000  0.4981  1.0
  Mo  Mo4  4  0.2500  0.2509  0.0017  1.0
  Mo  Mo5  4  0.2504  0.2506  0.4991  1.0
  Mo  Mo6  4  0.4997  0.2487  0.2482  1.0
  Mo  Mo7  4  0.4999  0.2489  0.7511  1.0
  Mo  Mo8  2  0.0017  0.5000  0.0009  1.0
  Mo  Mo9  2  0.2484  0.5000  0.2482  1.0
  Mo  Mo10  2  0.2484  0.5000  0.7512  1.0
  Mo  Mo11  2  0.2511  0.0000  0.2489  1.0
]