data_[La12H4S2N6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  La  1.1000  1.9500  1.1720
  H  2.2000  0.2500  0.0000
  S  2.5800  1.0000  0.8800
  N  3.0400  0.6500  0.6300
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [16.9462]
_cell_length_b [3.7786]
_cell_length_c [7.8317]
_cell_angle_alpha [90.0000]
_cell_angle_beta [106.4710]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [La6H2SN3]
_chemical_formula_sum '[La12 H4 S2 N6]'
_cell_volume [480.9069]
_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  0.0077  0.0000  0.7276  1.0
  La  La1  4  0.1606  0.5000  0.6008  1.0
  La  La2  4  0.1763  0.5000  0.0657  1.0
  H  H3  4  0.1711  0.0000  0.3363  1.0
  S  S4  2  0.0000  0.5000  0.0000  1.0
  N  N5  4  0.1650  0.0000  0.8250  1.0
  N  N6  2  0.0000  0.5000  0.5000  1.0
]