data_CaZn2Rh
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.17
_cell_length_b   4.29
_cell_length_c   5.55
_cell_angle_alpha   90.0
_cell_angle_beta   102.4
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CaZn2Rh
_chemical_formula_sum   'Ca1 Zn2 Rh1'
_cell_volume   73.77
_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  0.95  0.0  0.78  1.0
  Zn  Zn2  1  0.81  0.0  0.41  1.0
  Zn  Zn3  1  0.43  0.15  0.09  1.0
  Rh  Rh1  1  0.58  0.15  0.27  1.0

data_CaZn2Rh
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.17
_cell_length_b   4.29
_cell_length_c   5.55
_cell_angle_alpha   90.0
_cell_angle_beta   102.4
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CaZn2Rh
_chemical_formula_sum   'Ca1 Zn2 Rh1'
_cell_volume   73.77
_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  0.95  0.0  0.78  1.0
  Zn  Zn1  1  0.43  0.15  0.09  1.0
  Zn  Zn2  1  0.81  0.0  0.41  1.0
  Rh  Rh3  1  0.58  0.15  0.27  1.0

Ca Zn Zn Rh
Ca Zn Zn Rh 0 1 o o o 0 2 + o + 1 3 o o o 2 3 o o o 