data_MgSbIr2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.15
_cell_length_b   5.15
_cell_length_c   5.15
_cell_angle_alpha   135.47
_cell_angle_beta   135.47
_cell_angle_gamma   64.81
_symmetry_Int_Tables_number   1
_chemical_formula_structural   MgSbIr2
_chemical_formula_sum   'Mg1 Sb1 Ir2'
_cell_volume   66.04
_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
  Sb  Sb3  1  0.0  0.95  0.17  1.0
  Ir  Ir0  1  0.0  0.0  0.34  1.0
  Ir  Ir1  1  0.95  0.0  0.17  1.0

data_MgSbIr2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.9
_cell_length_b   3.9
_cell_length_c   5.15
_cell_angle_alpha   112.27
_cell_angle_beta   112.27
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   MgSbIr2
_chemical_formula_sum   'Mg1 Sb1 Ir2'
_cell_volume   66.04
_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  0.0  1.0
  Sb  Sb1  1  0.78  0.95  0.78  1.0
  Ir  Ir2  1  0.66  0.0  0.66  1.0
  Ir  Ir3  1  0.83  0.0  0.78  1.0

Mg Sb Ir Ir