data_NaGePt2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.03
_cell_length_b   9.03
_cell_length_c   9.03
_cell_angle_alpha   19.25
_cell_angle_beta   19.25
_cell_angle_gamma   19.25
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NaGePt2
_chemical_formula_sum   'Na1 Ge1 Pt2'
_cell_volume   69.89
_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
  Na  Na1  1  0.0  0.0  0.0  1.0
  Ge  Ge0  1  0.0  0.0  0.28  1.0
  Pt  Pt2  1  0.0  0.0  0.35  1.0
  Pt  Pt3  1  0.0  0.0  0.22  1.0

data_NaGePt2
_symmetry_space_group_name_H-M   Cm
_cell_length_a   5.23
_cell_length_b   3.02
_cell_length_c   9.03
_cell_angle_alpha   90.0
_cell_angle_beta   101.13
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   NaGePt2
_chemical_formula_sum   'Na2 Ge2 Pt4'
_cell_volume   139.77
_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
  Na  Na0  2  0.0  0.0  0.0  1.0
  Ge  Ge1  2  0.0  0.0  0.72  1.0
  Pt  Pt2  2  0.0  0.0  0.65  1.0
  Pt  Pt3  2  0.0  0.0  0.78  1.0

Na Ge Pt Pt
Na Ge Pt Pt 0 3 o o o 1 3 o o o 1 2 o o o 