data_TaCu2Re
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.71
_cell_length_b   4.71
_cell_length_c   4.83
_cell_angle_alpha   97.88
_cell_angle_beta   97.88
_cell_angle_gamma   32.99
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TaCu2Re
_chemical_formula_sum   'Ta1 Cu2 Re1'
_cell_volume   57.66
_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  Ta3  1  0.57  0.0  0.17  1.0
  Cu  Cu0  1  0.31  0.0  0.73  1.0
  Cu  Cu1  1  0.74  0.0  0.6  1.0
  Re  Re2  1  0.23  0.0  0.44  1.0

data_TaCu2Re
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.67
_cell_length_b   4.71
_cell_length_c   4.83
_cell_angle_alpha   97.88
_cell_angle_beta   90.0
_cell_angle_gamma   106.5
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TaCu2Re
_chemical_formula_sum   'Ta1 Cu2 Re1'
_cell_volume   57.66
_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  0.0  0.43  0.83  1.0
  Cu  Cu1  1  0.0  0.26  0.4  1.0
  Cu  Cu2  1  0.0  0.69  0.27  1.0
  Re  Re3  1  0.0  0.77  0.56  1.0

Ta Cu Cu Re