data_[La24Ge4S16]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  La  1.1000  1.9500  1.1720
  Ge  2.0100  1.2500  0.7700
  S  2.5800  1.0000  0.8800
]
_symmetry_space_group_name_H-M [Cmcm]
_cell_length_a [4.2077]
_cell_length_b [13.6485]
_cell_length_c [21.1101]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [63]
_chemical_formula_structural [La6GeS4]
_chemical_formula_sum '[La24 Ge4 S16]'
_cell_volume [1212.3338]
_cell_formula_units_Z [4]
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  8  0.0000  0.0477  0.1631  1
  La  La1  8  0.0000  0.2276  0.5835  1
  La  La2  4  0.0000  0.3248  0.2500  1
  La  La3  4  0.0000  0.5000  0.0000  1
  Ge  Ge4  4  0.0000  0.3388  0.7500  1
  S  S5  8  0.0000  0.1372  0.0406  1
  S  S6  8  0.0000  0.4079  0.1250  1
]