data_Mg2SbCl
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.12
_cell_length_b   5.44
_cell_length_c   4.37
_cell_angle_alpha   90.0
_cell_angle_beta   92.51
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Mg2SbCl
_chemical_formula_sum   'Mg2 Sb1 Cl1'
_cell_volume   97.87
_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  0.76  0.72  0.48  1.0
  Mg  Mg2  1  0.98  0.0  0.96  1.0
  Sb  Sb3  1  0.65  0.72  0.63  1.0
  Cl  Cl0  1  0.62  0.0  0.49  1.0

data_Mg2SbCl
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.12
_cell_length_b   4.37
_cell_length_c   5.44
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   92.51
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Mg2SbCl
_chemical_formula_sum   'Mg2 Sb1 Cl1'
_cell_volume   97.87
_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  0.02  0.04  0.0  1.0
  Mg  Mg1  1  0.24  0.52  0.28  1.0
  Sb  Sb2  1  0.35  0.37  0.28  1.0
  Cl  Cl3  1  0.38  0.51  0.0  1.0

Mg Mg Sb Cl