data_MgIrPt
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.88
_cell_length_b   4.88
_cell_length_c   4.88
_cell_angle_alpha   147.1
_cell_angle_beta   131.54
_cell_angle_gamma   59.81
_symmetry_Int_Tables_number   1
_chemical_formula_structural   MgIrPt
_chemical_formula_sum   'Mg1 Ir1 Pt1'
_cell_volume   46.73
_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  0.0  0.0  0.63  1.0
  Ir  Ir0  1  0.0  0.0  0.01  1.0
  Pt  Pt2  1  0.0  0.0  0.81  1.0

data_MgIrPt
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.76
_cell_length_b   4.0
_cell_length_c   4.88
_cell_angle_alpha   114.23
_cell_angle_beta   106.45
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   MgIrPt
_chemical_formula_sum   'Mg1 Ir1 Pt1'
_cell_volume   46.73
_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  0.37  0.37  0.37  1.0
  Ir  Ir1  1  0.99  0.99  0.99  1.0
  Pt  Pt2  1  0.19  0.19  0.19  1.0

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