data_InReSn2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.19
_cell_length_b   5.19
_cell_length_c   5.19
_cell_angle_alpha   127.94
_cell_angle_beta   127.94
_cell_angle_gamma   76.72
_symmetry_Int_Tables_number   1
_chemical_formula_structural   InReSn2
_chemical_formula_sum   'In1 Re1 Sn2'
_cell_volume   84.49
_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
  In  In0  1  0.0  0.0  0.0  1.0
  Re  Re1  1  0.0  0.0  0.07  1.0
  Sn  Sn2  1  0.0  0.28  0.04  1.0
  Sn  Sn3  1  0.28  0.0  0.04  1.0

data_InReSn2
_symmetry_space_group_name_H-M   Cm
_cell_length_a   6.44
_cell_length_b   6.44
_cell_length_c   5.19
_cell_angle_alpha   90.0
_cell_angle_beta   128.36
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   InReSn2
_chemical_formula_sum   'In2 Re2 Sn4'
_cell_volume   168.97
_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
  In  In0  2  0.0  0.0  0.0  1.0
  Re  Re1  2  0.0  0.0  0.07  1.0
  Sn  Sn2  4  0.36  0.36  0.76  1.0

In Re Sn Sn
In Re Sn Sn 0 1 o o o 0 2 o o o 0 3 o o o 1 2 o o o 1 3 o o o 