data_MgSb
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.64
_cell_length_b   4.64
_cell_length_c   7.56
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   MgSb
_chemical_formula_sum   'Mg2 Sb2'
_cell_volume   140.66
_cell_formula_units_Z   2
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  0.32  0.34  0.78  1.0
  Mg  Mg1  1  0.0  0.68  0.56  1.0
  Sb  Sb2  1  0.32  0.34  0.61  1.0
  Sb  Sb3  1  0.0  0.68  0.83  1.0

data_MgSb
_symmetry_space_group_name_H-M   Cm
_cell_length_a   8.03
_cell_length_b   4.64
_cell_length_c   7.56
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   MgSb
_chemical_formula_sum   'Mg4 Sb4'
_cell_volume   281.31
_cell_formula_units_Z   4
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  0.18  0.5  0.56  1.0
  Mg  Mg1  2  0.34  0.0  0.78  1.0
  Sb  Sb2  2  0.18  0.5  0.83  1.0
  Sb  Sb3  2  0.34  0.0  0.61  1.0

Mg Mg Sb Sb
Mg Mg Sb Sb 0 2 o o o 1 3 o o o 