data_MgCl3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.38
_cell_length_b   3.94
_cell_length_c   5.17
_cell_angle_alpha   90.0
_cell_angle_beta   109.67
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   MgCl3
_chemical_formula_sum   'Mg1 Cl3'
_cell_volume   83.93
_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  Mg3  1  0.0  0.0  0.0  1.0
  Cl  Cl0  1  0.29  0.97  0.94  1.0
  Cl  Cl1  1  0.13  0.0  0.43  1.0
  Cl  Cl2  1  0.35  0.97  0.92  1.0

data_MgCl3
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.94
_cell_length_b   4.38
_cell_length_c   5.17
_cell_angle_alpha   109.67
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   MgCl3
_chemical_formula_sum   'Mg1 Cl3'
_cell_volume   83.93
_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
  Cl  Cl1  1  0.0  0.87  0.57  1.0
  Cl  Cl2  1  0.03  0.65  0.08  1.0
  Cl  Cl3  1  0.03  0.71  0.06  1.0

Mg Cl Cl Cl