data_[La8S6N4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  La  1.1000  1.9500  1.1720
  S  2.5800  1.0000  0.8800
  N  3.0400  0.6500  0.6300
]
_symmetry_space_group_name_H-M [Pnnm]
_cell_length_a [6.7814]
_cell_length_b [15.5879]
_cell_length_c [4.0806]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [58]
_chemical_formula_structural [La4S3N2]
_chemical_formula_sum '[La8 S6 N4]'
_cell_volume [431.3551]
_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  0.2188  0.5652  0.0000  1.0
  La  La1  4  0.2264  0.3446  0.5000  1.0
  S  S2  4  0.2044  0.7019  0.5000  1.0
  S  S3  2  0.0000  0.0000  0.0000  1.0
  N  N4  4  0.1260  0.4170  0.0000  1.0
]