data_YTa2Re
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.68
_cell_length_b   5.68
_cell_length_c   5.68
_cell_angle_alpha   146.44
_cell_angle_beta   129.27
_cell_angle_gamma   62.21
_symmetry_Int_Tables_number   1
_chemical_formula_structural   YTa2Re
_chemical_formula_sum   'Y1 Ta2 Re1'
_cell_volume   77.64
_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
  Y  Y3  1  0.0  0.0  1.0  1.0
  Ta  Ta1  1  0.0  0.0  0.51  1.0
  Ta  Ta2  1  0.64  0.0  0.37  1.0
  Re  Re0  1  0.0  0.43  0.58  1.0

data_YTa2Re
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.28
_cell_length_b   4.87
_cell_length_c   5.68
_cell_angle_alpha   115.36
_cell_angle_beta   106.78
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   YTa2Re
_chemical_formula_sum   'Y1 Ta2 Re1'
_cell_volume   77.64
_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
  Y  Y0  1  0.0  1.0  1.0  1.0
  Ta  Ta1  1  0.0  0.37  0.73  1.0
  Ta  Ta2  1  0.0  0.51  0.51  1.0
  Re  Re3  1  0.57  0.15  0.15  1.0

Y Ta Ta Re