data_Ca2PtRh
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.52
_cell_length_b   3.52
_cell_length_c   8.14
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ca2PtRh
_chemical_formula_sum   'Ca2 Pt1 Rh1'
_cell_volume   100.98
_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  0.76  0.76  0.33  1.0
  Ca  Ca1  1  0.0  0.0  0.86  1.0
  Pt  Pt2  1  0.76  0.76  0.41  1.0
  Rh  Rh3  1  0.0  0.0  0.74  1.0

data_Ca2PtRh
_symmetry_space_group_name_H-M   Cm
_cell_length_a   4.98
_cell_length_b   4.98
_cell_length_c   8.14
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   Ca2PtRh
_chemical_formula_sum   'Ca4 Pt2 Rh2'
_cell_volume   201.97
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  'x, -y, z'
  3  'x+1/2, y+1/2, z'
  4  'x+1/2, -y+1/2, 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  2  0.0  0.0  0.86  1.0
  Ca  Ca1  2  0.26  0.5  0.33  1.0
  Rh  Rh2  2  0.0  0.0  0.74  1.0
  Pt  Pt3  2  0.26  0.5  0.41  1.0

Ca Ca Pt Rh
Ca Ca Pt Rh 0 2 o o o 1 3 o o o 