data_MgInSb
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.02
_cell_length_b   7.02
_cell_length_c   7.02
_cell_angle_alpha   151.91
_cell_angle_beta   151.91
_cell_angle_gamma   40.14
_symmetry_Int_Tables_number   1
_chemical_formula_structural   MgInSb
_chemical_formula_sum   'Mg1 In1 Sb1'
_cell_volume   76.55
_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  0.36  1.0
  In  In0  1  0.0  0.0  0.05  1.0
  Sb  Sb2  1  0.0  0.0  0.96  1.0

data_MgInSb
_symmetry_space_group_name_H-M   Cm
_cell_length_a   4.82
_cell_length_b   4.82
_cell_length_c   7.02
_cell_angle_alpha   90.0
_cell_angle_beta   110.07
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   MgInSb
_chemical_formula_sum   'Mg2 In2 Sb2'
_cell_volume   153.1
_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  0.36  0.0  0.36  1.0
  In  In1  2  0.05  0.0  0.05  1.0
  Sb  Sb2  2  0.46  0.5  0.96  1.0

Mg In Sb
Mg In Sb 0 1 o o o 1 2 o o - 