data_Ca2Rh
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.16
_cell_length_b   4.16
_cell_length_c   6.33
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ca2Rh
_chemical_formula_sum   'Ca2 Rh1'
_cell_volume   94.94
_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  0.08  0.2  0.89  1.0
  Ca  Ca1  1  0.0  0.4  0.44  1.0
  Rh  Rh2  1  0.0  0.0  0.0  1.0

data_Ca2Rh
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.16
_cell_length_b   4.16
_cell_length_c   6.33
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ca2Rh
_chemical_formula_sum   'Ca2 Rh1'
_cell_volume   94.94
_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  -0.0  0.4  0.44  1.0
  Ca  Ca1  1  0.08  0.2  0.89  1.0
  Rh  Rh2  1  0.0  0.0  0.0  1.0

Ca Ca Rh
Ca Ca Rh 0 2 o o + 0 1 o o + 0 1 o o o 1 1 + + o 1 1 o + o 1 1 + o o 1 2 o + o 1 2 o o o 1 2 o o + 