data_[Ta3Mo3]
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 [P-1]
_cell_length_a [2.8444]
_cell_length_b [5.3311]
_cell_length_c [7.0326]
_cell_angle_alpha [77.7124]
_cell_angle_beta [81.9573]
_cell_angle_gamma [79.0228]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [TaMo]
_chemical_formula_sum '[Ta3 Mo3]'
_cell_volume [101.7410]
_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  2  0.1794  0.1715  0.8328  1.0
  Ta  Ta1  1  0.0000  0.0000  0.5000  1.0
  Mo  Mo2  2  0.3393  0.3335  0.1653  1.0
  Mo  Mo3  1  0.5000  0.5000  0.5000  1.0
]