data_BaCa2Rh
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.97
_cell_length_b   4.97
_cell_length_c   4.92
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.98
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BaCa2Rh
_chemical_formula_sum   'Ba1 Ca2 Rh1'
_cell_volume   121.63
_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  0.49  0.0  0.0  1.0
  Ca  Ca1  1  0.74  0.23  0.46  1.0
  Ca  Ca2  1  0.74  0.77  0.46  1.0
  Rh  Rh3  1  0.0  0.0  0.0  1.0

data_BaCa2Rh
_symmetry_space_group_name_H-M   Pm
_cell_length_a   4.92
_cell_length_b   4.97
_cell_length_c   4.97
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   6
_chemical_formula_structural   BaCa2Rh
_chemical_formula_sum   'Ba1 Ca2 Rh1'
_cell_volume   121.65
_cell_formula_units_Z   1
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  '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  0.49  1.0
  Ca  Ca1  2  0.46  0.23  0.74  1.0
  Rh  Rh2  1  0.0  0.0  0.0  1.0

Ba Ca Ca Rh
BaCa2Rh crystallizes in the monoclinic Pm space group. Ba(1) is bonded in a distorted linear geometry to four equivalent Ca(1) and two equivalent Rh(1) atoms. There are two shorter (2.83 Å) and two longer (3.16 Å) Ba(1)-Ca(1) bond lengths. There is one shorter (2.42 Å) and one longer (2.56 Å) Ba(1)-Rh(1) bond length. Ca(1) is bonded in a 6-coordinate geometry to two equivalent Ba(1), two equivalent Ca(1), and two equivalent Rh(1) atoms. There is one shorter (2.26 Å) and one longer (2.72 Å) Ca(1)-Ca(1) bond length. There is one shorter (2.83 Å) and one longer (3.16 Å) Ca(1)-Rh(1) bond length. Rh(1) is bonded in a 6-coordinate geometry to two equivalent Ba(1) and four equivalent Ca(1) atoms.