data_[Ta3Mo5]
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 [Pm]
_cell_length_a [5.3316]
_cell_length_b [4.5433]
_cell_length_c [5.6050]
_cell_angle_alpha [90.0000]
_cell_angle_beta [100.5707]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [6]
_chemical_formula_structural [Ta3Mo5]
_chemical_formula_sum '[Ta3 Mo5]'
_cell_volume [133.4666]
_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  1  0.2447  0.5000  0.8774  1.0
  Ta  Ta1  1  0.2512  0.5000  0.3771  1.0
  Ta  Ta2  1  0.5029  0.0000  0.7455  1.0
  Mo  Mo3  1  0.0036  0.0000  0.0045  1.0
  Mo  Mo4  1  0.5020  0.0000  0.2466  1.0
  Mo  Mo5  1  0.7483  0.5000  0.1234  1.0
  Mo  Mo6  1  0.7529  0.5000  0.6243  1.0
  Mo  Mo7  1  0.9944  0.0000  0.5013  1.0
]