data_[Ta5Mo2]
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 [2.8800]
_cell_length_b [7.0273]
_cell_length_c [7.1010]
_cell_angle_alpha [118.1246]
_cell_angle_beta [97.0984]
_cell_angle_gamma [97.8385]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [Ta5Mo2]
_chemical_formula_sum '[Ta5 Mo2]'
_cell_volume [122.6246]
_cell_formula_units_Z [1]
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  0.1638  0.5670  0.3566  1.0
  Ta  Ta1  2  0.4313  0.7216  0.0709  1.0
  Ta  Ta2  1  0.0000  0.0000  0.5000  1.0
  Mo  Mo3  2  0.2818  0.1431  0.2137  1.0
]