data_Ca2ReRh
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.16
_cell_length_b   4.34
_cell_length_c   7.24
_cell_angle_alpha   90.0
_cell_angle_beta   101.42
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ca2ReRh
_chemical_formula_sum   'Ca2 Re1 Rh1'
_cell_volume   97.38
_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
  Ca  Ca0  1  0.56  0.17  0.6  1.0
  Ca  Ca1  1  0.38  0.0  0.27  1.0
  Re  Re2  1  0.64  0.17  0.97  1.0
  Rh  Rh3  1  0.16  0.0  0.89  1.0

data_Ca2ReRh
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.16
_cell_length_b   4.34
_cell_length_c   7.24
_cell_angle_alpha   90.0
_cell_angle_beta   101.42
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ca2ReRh
_chemical_formula_sum   'Ca2 Re1 Rh1'
_cell_volume   97.38
_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
  Ca  Ca0  1  0.38  0.0  0.27  1.0
  Ca  Ca1  1  0.56  0.17  0.6  1.0
  Re  Re2  1  0.64  0.17  0.97  1.0
  Rh  Rh3  1  0.16  0.0  0.89  1.0

Ca Ca Re Rh
Ca Ca Re Rh 0 1 o o o 0 3 o o o 0 3 + o o 0 2 o o o 1 3 o o - 1 2 - o - 1 2 o o - 2 3 o o o 2 3 + o o 