data_SrGaPt2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.61
_cell_length_b   4.61
_cell_length_c   3.74
_cell_angle_alpha   90.98
_cell_angle_beta   90.98
_cell_angle_gamma   84.18
_symmetry_Int_Tables_number   1
_chemical_formula_structural   SrGaPt2
_chemical_formula_sum   'Sr1 Ga1 Pt2'
_cell_volume   78.8
_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
  Sr  Sr3  1  0.42  0.0  0.0  1.0
  Ga  Ga0  1  0.0  0.0  0.0  1.0
  Pt  Pt1  1  0.67  0.54  0.87  1.0
  Pt  Pt2  1  0.67  0.46  0.87  1.0

data_SrGaPt2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.74
_cell_length_b   4.61
_cell_length_c   4.61
_cell_angle_alpha   84.18
_cell_angle_beta   89.02
_cell_angle_gamma   89.02
_symmetry_Int_Tables_number   1
_chemical_formula_structural   SrGaPt2
_chemical_formula_sum   'Sr1 Ga1 Pt2'
_cell_volume   78.8
_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
  Sr  Sr0  1  0.0  0.58  0.0  1.0
  Ga  Ga1  1  0.0  0.0  0.0  1.0
  Pt  Pt2  1  0.87  0.33  0.46  1.0
  Pt  Pt3  1  0.87  0.33  0.54  1.0

Sr Ga Pt Pt
Sr Ga Pt Pt 0 1 o o o 0 2 o - - 2 3 o o o 