data_CaRu2Pt
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.53
_cell_length_b   9.53
_cell_length_c   9.53
_cell_angle_alpha   17.31
_cell_angle_beta   17.31
_cell_angle_gamma   17.31
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CaRu2Pt
_chemical_formula_sum   'Ca1 Ru2 Pt1'
_cell_volume   66.89
_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
  Ru  Ru2  1  0.0  0.0  0.87  1.0
  Ru  Ru3  1  0.0  0.0  0.29  1.0
  Pt  Pt1  1  0.0  0.0  0.08  1.0

data_CaRu2Pt
_symmetry_space_group_name_H-M   Cm
_cell_length_a   4.97
_cell_length_b   2.87
_cell_length_c   9.53
_cell_angle_alpha   90.0
_cell_angle_beta   100.01
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   CaRu2Pt
_chemical_formula_sum   'Ca2 Ru4 Pt2'
_cell_volume   133.78
_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  0.0  1.0
  Ru  Ru1  2  -0.0  0.0  0.71  1.0
  Ru  Ru2  2  -0.0  0.0  0.13  1.0
  Pt  Pt3  2  -0.0  0.0  0.92  1.0

Ca Ru Ru Pt