data_Mg2IrPt
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.64
_cell_length_b   4.64
_cell_length_c   5.04
_cell_angle_alpha   100.48
_cell_angle_beta   100.48
_cell_angle_gamma   36.67
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Mg2IrPt
_chemical_formula_sum   'Mg2 Ir1 Pt1'
_cell_volume   63.52
_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  0.48  0.0  0.73  1.0
  Mg  Mg2  1  0.36  0.0  0.22  1.0
  Ir  Ir0  1  0.0  0.0  0.0  1.0
  Pt  Pt3  1  0.92  0.0  0.47  1.0

data_Mg2IrPt
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.92
_cell_length_b   4.64
_cell_length_c   5.04
_cell_angle_alpha   100.48
_cell_angle_beta   90.0
_cell_angle_gamma   108.33
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Mg2IrPt
_chemical_formula_sum   'Mg2 Ir1 Pt1'
_cell_volume   63.52
_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  0.52  0.27  1.0
  Mg  Mg1  1  0.0  0.64  0.78  1.0
  Ir  Ir2  1  0.0  0.0  0.0  1.0
  Pt  Pt3  1  0.0  0.08  0.53  1.0

Mg Mg Ir Pt