data_[Ta2Re2Mo2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ta  1.5000  1.4500  0.8200
  Re  1.9000  1.3500  0.7125
  Mo  2.1600  1.4500  0.7750
]
_symmetry_space_group_name_H-M [P3m1]
_cell_length_a [4.4994]
_cell_length_b [4.4994]
_cell_length_c [5.5474]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [156]
_chemical_formula_structural [TaReMo]
_chemical_formula_sum '[Ta2 Re2 Mo2]'
_cell_volume [97.2579]
_cell_formula_units_Z [2]
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  0.0000  0.0000  0.6921  1
  Ta  Ta1  1  0.6667  0.3333  0.0237  1
  Re  Re2  1  0.3333  0.6667  0.8582  1
  Re  Re3  1  0.6667  0.3333  0.5226  1
  Mo  Mo4  1  0.0000  0.0000  0.1951  1
  Mo  Mo5  1  0.3333  0.6667  0.3577  1
]