data_CaTaRh2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.16
_cell_length_b   3.24
_cell_length_c   7.21
_cell_angle_alpha   90.0
_cell_angle_beta   92.7
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CaTaRh2
_chemical_formula_sum   'Ca1 Ta1 Rh2'
_cell_volume   73.73
_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  0.0  1.0
  Ta  Ta3  1  0.83  0.0  0.6  1.0
  Rh  Rh1  1  0.47  0.62  0.14  1.0
  Rh  Rh2  1  0.35  0.62  0.06  1.0

data_CaTaRh2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.16
_cell_length_b   3.24
_cell_length_c   7.21
_cell_angle_alpha   90.0
_cell_angle_beta   92.7
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CaTaRh2
_chemical_formula_sum   'Ca1 Ta1 Rh2'
_cell_volume   73.73
_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  0.0  1.0
  Ta  Ta1  1  0.83  0.0  0.6  1.0
  Rh  Rh2  1  0.35  0.62  0.06  1.0
  Rh  Rh3  1  0.47  0.62  0.14  1.0

Ca Ta Rh Rh