data_MgSn2Ir
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.04
_cell_length_b   5.04
_cell_length_c   6.64
_cell_angle_alpha   109.82
_cell_angle_beta   109.82
_cell_angle_gamma   36.13
_symmetry_Int_Tables_number   1
_chemical_formula_structural   MgSn2Ir
_chemical_formula_sum   'Mg1 Sn2 Ir1'
_cell_volume   93.08
_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  0.92  0.0  0.47  1.0
  Sn  Sn2  1  0.37  0.0  0.08  1.0
  Sn  Sn3  1  0.84  0.0  0.49  1.0
  Ir  Ir0  1  0.28  0.0  0.27  1.0

data_MgSn2Ir
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.13
_cell_length_b   5.04
_cell_length_c   6.64
_cell_angle_alpha   109.82
_cell_angle_beta   90.0
_cell_angle_gamma   108.07
_symmetry_Int_Tables_number   1
_chemical_formula_structural   MgSn2Ir
_chemical_formula_sum   'Mg1 Sn2 Ir1'
_cell_volume   93.08
_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  0.08  0.53  1.0
  Sn  Sn1  1  0.0  0.16  0.51  1.0
  Sn  Sn2  1  0.0  0.63  0.92  1.0
  Ir  Ir3  1  0.0  0.72  0.73  1.0

Mg Sn Sn Ir