data_Ta2ReNi
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.0
_cell_length_b   5.0
_cell_length_c   5.0
_cell_angle_alpha   134.25
_cell_angle_beta   134.25
_cell_angle_gamma   66.7
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ta2ReNi
_chemical_formula_sum   'Ta2 Re1 Ni1'
_cell_volume   63.15
_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  0.0  0.0  0.18  1.0
  Ta  Ta3  1  0.0  0.94  0.09  1.0
  Re  Re1  1  0.94  0.0  0.09  1.0
  Ni  Ni0  1  0.0  0.0  0.0  1.0

data_Ta2ReNi
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.89
_cell_length_b   3.89
_cell_length_c   5.0
_cell_angle_alpha   112.87
_cell_angle_beta   112.87
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ta2ReNi
_chemical_formula_sum   'Ta2 Re1 Ni1'
_cell_volume   63.15
_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  0.82  0.0  0.82  1.0
  Ta  Ta1  1  0.86  0.94  0.86  1.0
  Re  Re2  1  0.91  0.0  0.86  1.0
  Ni  Ni3  1  0.0  0.0  0.0  1.0

Ta Ta Re Ni