data_SrGaPt2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.58
_cell_length_b   3.58
_cell_length_c   6.46
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   SrGaPt2
_chemical_formula_sum   'Sr1 Ga1 Pt2'
_cell_volume   82.88
_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  0.79  0.79  0.13  1.0
  Ga  Ga0  1  0.0  0.0  0.37  1.0
  Pt  Pt1  1  0.79  0.79  0.28  1.0
  Pt  Pt2  1  0.0  0.0  0.38  1.0

data_SrGaPt2
_symmetry_space_group_name_H-M   Cm
_cell_length_a   5.06
_cell_length_b   5.06
_cell_length_c   6.46
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   SrGaPt2
_chemical_formula_sum   'Sr2 Ga2 Pt4'
_cell_volume   165.75
_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
  Sr  Sr0  2  0.29  0.5  0.13  1.0
  Ga  Ga1  2  0.0  0.0  0.37  1.0
  Pt  Pt2  2  0.0  0.0  0.38  1.0
  Pt  Pt3  2  0.29  0.5  0.28  1.0

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