data_ZnGe2Pt
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.04
_cell_length_b   3.04
_cell_length_c   7.46
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ZnGe2Pt
_chemical_formula_sum   'Zn1 Ge2 Pt1'
_cell_volume   68.8
_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
  Zn  Zn3  1  0.0  0.0  0.0  1.0
  Ge  Ge0  1  0.52  0.52  0.02  1.0
  Ge  Ge1  1  0.52  0.52  0.44  1.0
  Pt  Pt2  1  0.0  0.0  0.73  1.0

data_ZnGe2Pt
_symmetry_space_group_name_H-M   Cm
_cell_length_a   4.3
_cell_length_b   4.3
_cell_length_c   7.46
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   ZnGe2Pt
_chemical_formula_sum   'Zn2 Ge4 Pt2'
_cell_volume   137.6
_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
  Zn  Zn0  2  0.0  0.0  0.0  1.0
  Ge  Ge1  2  0.02  0.5  0.02  1.0
  Ge  Ge2  2  0.02  0.5  0.44  1.0
  Pt  Pt3  2  0.0  0.0  0.73  1.0

Zn Ge Ge Pt
Zn Ge Ge Pt 0 1 - - o 0 1 - o o 0 1 o - o 0 1 o o o 0 3 o o - 1 2 o o o 2 3 o o o 2 3 o + o 2 3 + o o 2 3 + + o 2 2 + o o 2 2 o + o 