data_[La2Mg2Cl8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  La  1.1000  1.9500  1.1720
  Mg  1.3100  1.5000  0.8600
  Cl  3.1600  1.0000  0.7800
]
_symmetry_space_group_name_H-M [P2_1/m]
_cell_length_a [13.6768]
_cell_length_b [3.8041]
_cell_length_c [18.8919]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [LaMgCl4]
_chemical_formula_sum '[La2 Mg2 Cl8]'
_cell_volume [982.9012]
_cell_formula_units_Z [2]
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  La0  2  0.3837  0.2500  0.4987  1
  Mg  Mg1  2  0.1154  0.7500  0.5016  1
  Cl  Cl2  2  0.0374  0.2500  0.5720  1
  Cl  Cl3  2  0.1912  0.2500  0.4285  1
  Cl  Cl4  2  0.2654  0.7500  0.5790  1
  Cl  Cl5  2  0.4603  0.7500  0.3970  1
]