data_BaCaRh
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.7
_cell_length_b   7.7
_cell_length_c   7.7
_cell_angle_alpha   152.35
_cell_angle_beta   152.35
_cell_angle_gamma   39.51
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BaCaRh
_chemical_formula_sum   'Ba1 Ca1 Rh1'
_cell_volume   98.12
_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
  Ba  Ba0  1  0.0  0.0  0.9  1.0
  Ca  Ca1  1  0.0  0.0  0.4  1.0
  Rh  Rh2  1  0.0  0.0  0.68  1.0

data_BaCaRh
_symmetry_space_group_name_H-M   Cm
_cell_length_a   5.2
_cell_length_b   5.2
_cell_length_c   7.7
_cell_angle_alpha   90.0
_cell_angle_beta   109.75
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   BaCaRh
_chemical_formula_sum   'Ba2 Ca2 Rh2'
_cell_volume   196.25
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  'x, -y, z'
  3  'x+1/2, y+1/2, z'
  4  'x+1/2, -y+1/2, 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
  Ba  Ba0  2  0.0  0.0  0.1  1.0
  Ca  Ca1  2  0.0  0.0  0.6  1.0
  Rh  Rh2  2  0.0  0.0  0.32  1.0

Ba Ca Rh
Ba Ca Rh 0 2 o o o 1 2 o o o 