data_TaCoRe
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.26
_cell_length_b   6.22
_cell_length_c   2.71
_cell_angle_alpha   78.32
_cell_angle_beta   76.56
_cell_angle_gamma   25.12
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TaCoRe
_chemical_formula_sum   'Ta1 Co1 Re1'
_cell_volume   43.55
_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  Ta2  1  0.85  0.99  0.05  1.0
  Co  Co0  1  0.85  0.99  0.11  1.0
  Re  Re1  1  0.85  0.99  0.71  1.0

data_TaCoRe
_symmetry_space_group_name_H-M   Cm
_cell_length_a   3.69
_cell_length_b   11.87
_cell_length_c   2.71
_cell_angle_alpha   90.0
_cell_angle_beta   132.93
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   TaCoRe
_chemical_formula_sum   'Ta2 Co2 Re2'
_cell_volume   87.1
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  'x, -y, z'
  3  'x+1/2, y+1/2, z'
  4  'x+1/2, -y+1/2, 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  0.49  0.5  0.1  1.0
  Co  Co1  2  0.49  0.5  0.04  1.0
  Re  Re2  2  0.49  0.5  0.44  1.0

Ta Co Re