data_Ta2InRe
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.29
_cell_length_b   9.29
_cell_length_c   9.29
_cell_angle_alpha   19.11
_cell_angle_beta   19.11
_cell_angle_gamma   19.11
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ta2InRe
_chemical_formula_sum   'Ta2 In1 Re1'
_cell_volume   74.98
_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  0.0  0.38  1.0
  In  In0  1  0.0  0.0  0.79  1.0
  Re  Re1  1  0.0  0.0  0.01  1.0

data_Ta2InRe
_symmetry_space_group_name_H-M   Cm
_cell_length_a   5.34
_cell_length_b   3.08
_cell_length_c   9.29
_cell_angle_alpha   90.0
_cell_angle_beta   101.05
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   Ta2InRe
_chemical_formula_sum   'Ta4 In2 Re2'
_cell_volume   149.96
_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  0.0  0.0  0.82  1.0
  Ta  Ta1  2  0.0  0.0  0.62  1.0
  In  In2  2  -0.0  0.0  0.21  1.0
  Re  Re3  2  -0.0  0.0  0.99  1.0

Ta Ta In Re
Ta Ta In Re 0 3 o o o 0 1 o o o 2 3 o o + 