data_CaY2Rh
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.49
_cell_length_b   6.49
_cell_length_c   6.49
_cell_angle_alpha   147.49
_cell_angle_beta   131.85
_cell_angle_gamma   59.3
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CaY2Rh
_chemical_formula_sum   'Ca1 Y2 Rh1'
_cell_volume   108.43
_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  0.0  0.24  1.0
  Y  Y2  1  0.0  0.0  0.61  1.0
  Y  Y3  1  0.82  0.0  0.79  1.0
  Rh  Rh1  1  0.0  0.65  0.92  1.0

data_CaY2Rh
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.63
_cell_length_b   5.29
_cell_length_c   6.49
_cell_angle_alpha   114.08
_cell_angle_beta   106.25
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CaY2Rh
_chemical_formula_sum   'Ca1 Y2 Rh1'
_cell_volume   108.43
_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  0.24  0.24  1.0
  Y  Y1  1  0.0  0.61  0.61  1.0
  Y  Y2  1  0.0  0.79  0.98  1.0
  Rh  Rh3  1  0.35  0.27  0.27  1.0

Ca Y Y Rh