data_MgSbIr2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.94
_cell_length_b   2.94
_cell_length_c   9.12
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   117.97
_symmetry_Int_Tables_number   1
_chemical_formula_structural   MgSbIr2
_chemical_formula_sum   'Mg1 Sb1 Ir2'
_cell_volume   69.46
_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  0.0  0.56  1.0
  Ir  Ir0  1  0.51  0.0  0.95  1.0
  Ir  Ir1  1  0.51  0.0  0.18  1.0

data_MgSbIr2
_symmetry_space_group_name_H-M   Cmm2
_cell_length_a   2.94
_cell_length_b   5.19
_cell_length_c   9.12
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   35
_chemical_formula_structural   MgSbIr2
_chemical_formula_sum   'Mg2 Sb2 Ir4'
_cell_volume   139.0
_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, y, z'
  4  'x, -y, z'
  5  'x+1/2, y+1/2, z'
  6  '-x+1/2, -y+1/2, z'
  7  '-x+1/2, y+1/2, z'
  8  '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
  Sb  Sb1  2  0.0  0.0  0.56  1.0
  Ir  Ir2  2  0.0  0.5  0.18  1.0
  Ir  Ir3  2  0.0  0.5  0.95  1.0

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