data_CdReAs2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.32
_cell_length_b   5.32
_cell_length_c   5.32
_cell_angle_alpha   136.32
_cell_angle_beta   136.32
_cell_angle_gamma   63.48
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CdReAs2
_chemical_formula_sum   'Cd1 Re1 As2'
_cell_volume   70.9
_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  Cd2  1  0.0  0.0  0.52  1.0
  Re  Re3  1  0.0  0.98  0.26  1.0
  As  As0  1  0.0  0.0  0.0  1.0
  As  As1  1  0.98  0.0  0.26  1.0

data_CdReAs2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.96
_cell_length_b   3.96
_cell_length_c   5.32
_cell_angle_alpha   111.84
_cell_angle_beta   111.84
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CdReAs2
_chemical_formula_sum   'Cd1 Re1 As2'
_cell_volume   70.9
_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  0.52  0.52  0.52  1.0
  Re  Re1  1  0.28  0.26  0.28  1.0
  As  As2  1  0.0  0.0  0.0  1.0
  As  As3  1  0.26  0.28  0.28  1.0

Cd Re As As