data_CaRh2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.65
_cell_length_b   4.65
_cell_length_c   5.64
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CaRh2
_chemical_formula_sum   'Ca2 Rh4'
_cell_volume   105.47
_cell_formula_units_Z   2
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  0.0  0.68  0.41  1.0
  Ca  Ca1  1  0.32  0.34  0.23  1.0
  Rh  Rh2  1  0.0  0.0  0.0  1.0
  Rh  Rh3  1  0.0  0.0  0.82  1.0
  Rh  Rh4  1  0.32  0.34  0.41  1.0
  Rh  Rh5  1  0.0  0.68  0.23  1.0

data_CaRh2
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.65
_cell_length_b   4.65
_cell_length_c   5.64
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CaRh2
_chemical_formula_sum   'Ca2 Rh4'
_cell_volume   105.47
_cell_formula_units_Z   2
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  0.0  0.68  0.41  1.0
  Ca  Ca1  1  0.32  0.34  0.23  1.0
  Rh  Rh2  1  0.0  0.0  0.0  1.0
  Rh  Rh3  1  0.0  0.0  0.82  1.0
  Rh  Rh4  1  0.0  0.68  0.23  1.0
  Rh  Rh5  1  0.32  0.34  0.41  1.0

Ca Ca Rh Rh Rh Rh