data_[La6As2S2N2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  La  1.1000  1.9500  1.1720
  As  2.1800  1.1500  0.6600
  S  2.5800  1.0000  0.8800
  N  3.0400  0.6500  0.6300
]
_symmetry_space_group_name_H-M [P2_1/m]
_cell_length_a [8.6552]
_cell_length_b [4.1753]
_cell_length_c [9.3978]
_cell_angle_alpha [90.0000]
_cell_angle_beta [100.6988]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [La3AsSN]
_chemical_formula_sum '[La6 As2 S2 N2]'
_cell_volume [333.7117]
_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  0.0971  0.2500  0.8447  1.0
  La  La1  2  0.1736  0.7500  0.5141  1.0
  La  La2  2  0.4116  0.7500  0.1658  1.0
  As  As3  2  0.1763  0.2500  0.2053  1.0
  S  S4  2  0.3493  0.7500  0.8530  1.0
  N  N5  2  0.0912  0.2500  0.6034  1.0
]