data_CaGePt2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.79
_cell_length_b   5.79
_cell_length_c   5.79
_cell_angle_alpha   43.14
_cell_angle_beta   43.14
_cell_angle_gamma   43.14
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CaGePt2
_chemical_formula_sum   'Ca1 Ge1 Pt2'
_cell_volume   82.29
_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  0.73  1.0
  Ge  Ge1  1  0.0  0.0  0.78  1.0
  Pt  Pt2  1  0.0  0.0  0.56  1.0
  Pt  Pt3  1  0.0  0.0  0.52  1.0

data_CaGePt2
_symmetry_space_group_name_H-M   Cm
_cell_length_a   7.37
_cell_length_b   4.26
_cell_length_c   5.79
_cell_angle_alpha   90.0
_cell_angle_beta   115.12
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   CaGePt2
_chemical_formula_sum   'Ca2 Ge2 Pt4'
_cell_volume   164.59
_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  0.73  1.0
  Ge  Ge1  2  -0.0  0.0  0.78  1.0
  Pt  Pt2  2  -0.0  0.0  0.52  1.0
  Pt  Pt3  2  -0.0  0.0  0.56  1.0

Ca Ge Pt Pt