data_[Ta12Mo8]
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 [Pbcn]
_cell_length_a [7.2983]
_cell_length_b [6.9519]
_cell_length_c [7.2280]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [60]
_chemical_formula_structural [Ta3Mo2]
_chemical_formula_sum '[Ta12 Mo8]'
_cell_volume [366.7285]
_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  8  0.1751  0.4988  0.6009  1
  Ta  Ta1  4  0.0000  0.1851  0.2500  1
  Mo  Mo2  8  0.0930  0.1878  0.8913  1
]