data_Mg2IrPt
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.18
_cell_length_b   5.18
_cell_length_c   4.69
_cell_angle_alpha   108.46
_cell_angle_beta   108.46
_cell_angle_gamma   32.62
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Mg2IrPt
_chemical_formula_sum   'Mg2 Ir1 Pt1'
_cell_volume   64.08
_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
  Mg  Mg1  1  0.06  0.0  0.32  1.0
  Mg  Mg2  1  0.27  0.0  0.0  1.0
  Ir  Ir0  1  0.3  0.0  0.81  1.0
  Pt  Pt3  1  0.97  0.0  0.5  1.0

data_Mg2IrPt
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.91
_cell_length_b   4.69
_cell_length_c   5.18
_cell_angle_alpha   108.46
_cell_angle_beta   106.31
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Mg2IrPt
_chemical_formula_sum   'Mg2 Ir1 Pt1'
_cell_volume   64.08
_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
  Mg  Mg0  1  0.0  0.0  0.27  1.0
  Mg  Mg1  1  0.0  0.32  0.06  1.0
  Ir  Ir2  1  0.0  0.81  0.3  1.0
  Pt  Pt3  1  0.0  0.5  0.97  1.0

Mg Mg Ir Pt
Mg Mg Ir Pt 0 3 - o o 1 2 o o - 