data_SrMgPt2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.56
_cell_length_b   5.56
_cell_length_c   5.16
_cell_angle_alpha   103.07
_cell_angle_beta   103.07
_cell_angle_gamma   32.23
_symmetry_Int_Tables_number   1
_chemical_formula_structural   SrMgPt2
_chemical_formula_sum   'Sr1 Mg1 Pt2'
_cell_volume   82.66
_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  0.88  0.0  0.76  1.0
  Mg  Mg0  1  0.47  0.0  0.82  1.0
  Pt  Pt1  1  0.49  0.0  0.21  1.0
  Pt  Pt2  1  0.05  0.0  0.73  1.0

data_SrMgPt2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.09
_cell_length_b   5.16
_cell_length_c   5.56
_cell_angle_alpha   103.07
_cell_angle_beta   106.11
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   SrMgPt2
_chemical_formula_sum   'Sr1 Mg1 Pt2'
_cell_volume   82.66
_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  0.76  0.88  1.0
  Mg  Mg1  1  0.0  0.82  0.47  1.0
  Pt  Pt2  1  0.0  0.21  0.49  1.0
  Pt  Pt3  1  0.0  0.73  0.05  1.0

Sr Mg Pt Pt
Sr Mg Pt Pt 0 3 + o o 0 1 o o o 1 3 o o o 1 2 o o + 