data_CdReSi2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.68
_cell_length_b   4.68
_cell_length_c   4.68
_cell_angle_alpha   127.72
_cell_angle_beta   127.72
_cell_angle_gamma   77.08
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CdReSi2
_chemical_formula_sum   'Cd1 Re1 Si2'
_cell_volume   62.1
_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
  Cd  Cd0  1  0.0  0.0  0.0  1.0
  Re  Re1  1  0.0  0.0  0.66  1.0
  Si  Si2  1  0.0  0.06  0.83  1.0
  Si  Si3  1  0.06  0.0  0.83  1.0

data_CdReSi2
_symmetry_space_group_name_H-M   Cm
_cell_length_a   5.83
_cell_length_b   5.83
_cell_length_c   4.68
_cell_angle_alpha   90.0
_cell_angle_beta   128.54
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   CdReSi2
_chemical_formula_sum   'Cd2 Re2 Si4'
_cell_volume   124.2
_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
  Cd  Cd0  2  0.0  0.0  0.0  1.0
  Si  Si1  4  0.2  0.03  0.23  1.0
  Re  Re2  2  0.34  0.0  0.34  1.0

Cd Re Si Si
Cd Re Si Si 0 2 o o - 0 3 o o - 1 2 o o o 1 3 o o o 2 3 o o o 