data_TaCo2Re
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.6
_cell_length_b   4.6
_cell_length_c   4.61
_cell_angle_alpha   101.13
_cell_angle_beta   101.13
_cell_angle_gamma   35.6
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TaCo2Re
_chemical_formula_sum   'Ta1 Co2 Re1'
_cell_volume   55.6
_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  0.0  0.0  0.0  1.0
  Co  Co0  1  0.47  0.0  0.29  1.0
  Co  Co1  1  0.36  0.0  0.22  1.0
  Re  Re2  1  0.91  0.0  0.25  1.0

data_TaCo2Re
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.81
_cell_length_b   4.6
_cell_length_c   4.61
_cell_angle_alpha   101.13
_cell_angle_beta   90.0
_cell_angle_gamma   107.8
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TaCo2Re
_chemical_formula_sum   'Ta1 Co2 Re1'
_cell_volume   55.6
_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  0.0  0.0  1.0
  Co  Co1  1  0.0  0.53  0.71  1.0
  Co  Co2  1  0.0  0.64  0.78  1.0
  Re  Re3  1  0.0  0.09  0.75  1.0

Ta Co Co Re