data_CaTi2Rh
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.06
_cell_length_b   4.11
_cell_length_c   6.51
_cell_angle_alpha   90.0
_cell_angle_beta   100.77
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CaTi2Rh
_chemical_formula_sum   'Ca1 Ti2 Rh1'
_cell_volume   80.36
_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  0.51  0.0  0.31  1.0
  Ti  Ti2  1  0.64  0.0  0.32  1.0
  Ti  Ti3  1  0.19  0.05  0.13  1.0
  Rh  Rh1  1  0.75  0.05  0.22  1.0

data_CaTi2Rh
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.06
_cell_length_b   4.11
_cell_length_c   6.51
_cell_angle_alpha   90.0
_cell_angle_beta   100.77
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CaTi2Rh
_chemical_formula_sum   'Ca1 Ti2 Rh1'
_cell_volume   80.36
_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  0.51  0.0  0.31  1.0
  Ti  Ti1  1  0.19  0.05  0.13  1.0
  Ti  Ti2  1  0.64  0.0  0.32  1.0
  Rh  Rh3  1  0.75  0.05  0.22  1.0

Ca Ti Ti Rh