data_Ta2ReSn
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.23
_cell_length_b   5.23
_cell_length_c   5.23
_cell_angle_alpha   134.41
_cell_angle_beta   134.41
_cell_angle_gamma   66.44
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ta2ReSn
_chemical_formula_sum   'Ta2 Re1 Sn1'
_cell_volume   71.86
_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  0.03  0.0  0.19  1.0
  Ta  Ta3  1  0.0  0.0  0.38  1.0
  Re  Re0  1  0.0  0.03  0.19  1.0
  Sn  Sn1  1  0.0  0.0  0.0  1.0

data_Ta2ReSn
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.05
_cell_length_b   4.05
_cell_length_c   5.23
_cell_angle_alpha   112.79
_cell_angle_beta   112.79
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ta2ReSn
_chemical_formula_sum   'Ta2 Re1 Sn1'
_cell_volume   71.86
_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  0.62  0.0  0.62  1.0
  Ta  Ta1  1  0.81  0.0  0.84  1.0
  Re  Re2  1  0.84  0.03  0.84  1.0
  Sn  Sn3  1  0.0  0.0  0.0  1.0

Ta Ta Re Sn
Ta Ta Re Sn 0 2 o o o 0 1 o o o 0 3 o o o 1 2 o o o 2 3 o o o 