data_CaBRh2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.23
_cell_length_b   4.23
_cell_length_c   3.0
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   91.57
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CaBRh2
_chemical_formula_sum   'Ca1 B1 Rh2'
_cell_volume   53.81
_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  Ca1  1  0.95  0.0  0.0  1.0
  B  B0  1  0.0  0.0  0.0  1.0
  Rh  Rh2  1  0.48  0.48  0.5  1.0
  Rh  Rh3  1  0.48  0.52  0.5  1.0

data_CaBRh2
_symmetry_space_group_name_H-M   Pmm2
_cell_length_a   3.0
_cell_length_b   4.23
_cell_length_c   4.23
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   25
_chemical_formula_structural   CaBRh2
_chemical_formula_sum   'Ca1 B1 Rh2'
_cell_volume   53.84
_cell_formula_units_Z   1
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  '-x, -y, z'
  3  '-x, y, z'
  4  '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  0.0  0.05  1.0
  B  B1  1  0.0  0.0  0.0  1.0
  Rh  Rh2  2  0.5  0.48  0.52  1.0

Ca B Rh Rh