data_MgSbCl2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.1
_cell_length_b   4.54
_cell_length_c   5.09
_cell_angle_alpha   90.0
_cell_angle_beta   92.82
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   MgSbCl2
_chemical_formula_sum   'Mg1 Sb1 Cl2'
_cell_volume   94.69
_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  0.93  0.0  0.54  1.0
  Cl  Cl0  1  0.78  0.27  0.85  1.0
  Cl  Cl1  1  0.07  0.27  0.23  1.0

data_MgSbCl2
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.1
_cell_length_b   4.54
_cell_length_c   5.09
_cell_angle_alpha   90.0
_cell_angle_beta   92.82
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   MgSbCl2
_chemical_formula_sum   'Mg1 Sb1 Cl2'
_cell_volume   94.69
_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  0.93  0.0  0.54  1.0
  Cl  Cl2  1  0.07  0.27  0.23  1.0
  Cl  Cl3  1  0.78  0.27  0.85  1.0

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