data_[Ta20Mo8]
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 [C2/c]
_cell_length_a [14.7186]
_cell_length_b [5.2852]
_cell_length_c [6.4180]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.7016]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [Ta5Mo2]
_chemical_formula_sum '[Ta20 Mo8]'
_cell_volume [499.2218]
_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  0.1418  0.1256  0.0380  1
  Ta  Ta1  8  0.2100  0.3786  0.6753  1
  Ta  Ta2  4  0.0000  0.1382  0.7500  1
  Mo  Mo3  8  0.0683  0.3669  0.3900  1
]