data_La2MgCl
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   10.01
_cell_length_b   10.01
_cell_length_c   10.01
_cell_angle_alpha   21.69
_cell_angle_beta   21.69
_cell_angle_gamma   21.69
_symmetry_Int_Tables_number   1
_chemical_formula_structural   La2MgCl
_chemical_formula_sum   'La2 Mg1 Cl1'
_cell_volume   120.02
_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
  La  La1  1  0.0  0.0  0.19  1.0
  La  La2  1  0.0  0.0  0.12  1.0
  Mg  Mg3  1  0.0  0.0  0.0  1.0
  Cl  Cl0  1  0.0  0.0  0.65  1.0

data_La2MgCl
_symmetry_space_group_name_H-M   Cm
_cell_length_a   6.52
_cell_length_b   3.77
_cell_length_c   10.01
_cell_angle_alpha   90.0
_cell_angle_beta   102.55
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   La2MgCl
_chemical_formula_sum   'La4 Mg2 Cl2'
_cell_volume   240.03
_cell_formula_units_Z   2
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
  La  La0  2  0.0  0.0  0.81  1.0
  La  La1  2  0.0  0.0  0.88  1.0
  Mg  Mg2  2  0.0  0.0  0.0  1.0
  Cl  Cl3  2  0.0  0.0  0.35  1.0

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