data_MgIr2Pt
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.82
_cell_length_b   4.82
_cell_length_c   4.82
_cell_angle_alpha   131.97
_cell_angle_beta   131.97
_cell_angle_gamma   70.27
_symmetry_Int_Tables_number   1
_chemical_formula_structural   MgIr2Pt
_chemical_formula_sum   'Mg1 Ir2 Pt1'
_cell_volume   60.64
_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  Mg2  1  0.0  0.0  0.0  1.0
  Ir  Ir0  1  0.0  0.96  0.97  1.0
  Ir  Ir1  1  0.96  0.0  0.97  1.0
  Pt  Pt3  1  0.0  0.0  0.94  1.0

data_MgIr2Pt
_symmetry_space_group_name_H-M   Cm
_cell_length_a   5.55
_cell_length_b   5.55
_cell_length_c   4.82
_cell_angle_alpha   90.0
_cell_angle_beta   125.14
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   MgIr2Pt
_chemical_formula_sum   'Mg2 Ir4 Pt2'
_cell_volume   121.27
_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
  Mg  Mg0  2  0.0  0.0  0.0  1.0
  Ir  Ir1  4  0.01  0.02  0.99  1.0
  Pt  Pt2  2  0.06  0.0  0.06  1.0

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