data_[La4Be2S8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  La  1.1000  1.9500  1.1720
  Be  1.5700  1.0500  0.5900
  S  2.5800  1.0000  0.8800
]
_symmetry_space_group_name_H-M [P2_1/m]
_cell_length_a [6.3109]
_cell_length_b [6.4292]
_cell_length_c [8.0623]
_cell_angle_alpha [90.0000]
_cell_angle_beta [108.6335]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [La2BeS4]
_chemical_formula_sum '[La4 Be2 S8]'
_cell_volume [309.9733]
_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  0.2319  0.2500  0.4301  1.0
  La  La1  2  0.2797  0.2500  0.9486  1.0
  Be  Be2  2  0.2724  0.7500  0.2006  1.0
  S  S3  4  0.4933  0.5017  0.2610  1.0
  S  S4  2  0.0753  0.7500  0.3714  1.0
  S  S5  2  0.0992  0.7500  0.9257  1.0
]