data_GeAs2Pt
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.77
_cell_length_b   4.77
_cell_length_c   3.19
_cell_angle_alpha   93.2
_cell_angle_beta   93.2
_cell_angle_gamma   99.44
_symmetry_Int_Tables_number   1
_chemical_formula_structural   GeAs2Pt
_chemical_formula_sum   'Ge1 As2 Pt1'
_cell_volume   71.37
_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
  Ge  Ge2  1  0.0  0.0  0.0  1.0
  As  As0  1  0.41  0.18  0.59  1.0
  As  As1  1  0.41  0.82  0.59  1.0
  Pt  Pt3  1  0.09  0.0  0.0  1.0

data_GeAs2Pt
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.19
_cell_length_b   4.77
_cell_length_c   4.77
_cell_angle_alpha   99.44
_cell_angle_beta   93.2
_cell_angle_gamma   93.2
_symmetry_Int_Tables_number   1
_chemical_formula_structural   GeAs2Pt
_chemical_formula_sum   'Ge1 As2 Pt1'
_cell_volume   71.37
_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
  Ge  Ge0  1  0.0  0.0  0.0  1.0
  As  As1  1  0.59  0.41  0.18  1.0
  As  As2  1  0.59  0.41  0.82  1.0
  Pt  Pt3  1  -0.0  0.09  0.0  1.0

Ge As As Pt
Ge As As Pt 0 3 o o o 1 2 o - o 