data_MgSbCl2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.72
_cell_length_b   7.72
_cell_length_c   7.72
_cell_angle_alpha   154.47
_cell_angle_beta   140.65
_cell_angle_gamma   47.5
_symmetry_Int_Tables_number   1
_chemical_formula_structural   MgSbCl2
_chemical_formula_sum   'Mg1 Sb1 Cl2'
_cell_volume   125.25
_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  0.47  1.0
  Sb  Sb3  1  0.0  0.6  0.85  1.0
  Cl  Cl0  1  0.0  0.0  0.99  1.0
  Cl  Cl1  1  0.71  0.0  0.82  1.0

data_MgSbCl2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.41
_cell_length_b   5.2
_cell_length_c   7.72
_cell_angle_alpha   109.67
_cell_angle_beta   102.77
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   MgSbCl2
_chemical_formula_sum   'Mg1 Sb1 Cl2'
_cell_volume   125.25
_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  0.53  0.53  0.53  1.0
  Sb  Sb1  1  0.15  0.75  0.75  1.0
  Cl  Cl2  1  0.01  0.01  0.01  1.0
  Cl  Cl3  1  0.89  0.18  0.89  1.0

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