data_[Ta8Mo8]
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 [Imm2]
_cell_length_a [3.2344]
_cell_length_b [4.6165]
_cell_length_c [18.1718]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [44]
_chemical_formula_structural [TaMo]
_chemical_formula_sum '[Ta8 Mo8]'
_cell_volume [271.3307]
_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  0.0000  0.0000  0.2498  1.0
  Ta  Ta1  2  0.0000  0.5000  0.1243  1.0
  Ta  Ta2  2  0.0000  0.5000  0.6206  1.0
  Ta  Ta3  2  0.0000  0.5000  0.8789  1.0
  Mo  Mo4  2  0.0000  0.0000  0.5000  1.0
  Mo  Mo5  2  0.0000  0.0000  0.7532  1.0
  Mo  Mo6  2  0.0000  0.0000  0.9978  1.0
  Mo  Mo7  2  0.0000  0.5000  0.3755  1.0
]