data_[La4Mn2Al2S12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  La  1.1000  1.9500  1.1720
  Mn  1.5500  1.4000  0.6483
  Al  1.6100  1.2500  0.6750
  S  2.5800  1.0000  0.8800
]
_symmetry_space_group_name_H-M [P2_1/c]
_cell_length_a [6.3541]
_cell_length_b [7.2245]
_cell_length_c [11.1414]
_cell_angle_alpha [90.0000]
_cell_angle_beta [124.3827]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [14]
_chemical_formula_structural [La2MnAlS6]
_chemical_formula_sum '[La4 Mn2 Al2 S12]'
_cell_volume [422.0904]
_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  4  0.2106  0.1071  0.2490  1.0
  Mn  Mn1  2  0.5000  0.0000  0.0000  1.0
  Al  Al2  2  0.0000  0.0000  0.5000  1.0
  S  S3  4  0.1451  0.1792  0.9539  1.0
  S  S4  4  0.2578  0.6712  0.9537  1.0
  S  S5  4  0.3541  0.0083  0.7532  1.0
]