data_[La4Y4Br12N4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  La  1.1000  1.9500  1.1720
  Y  1.2200  1.8000  1.0400
  Br  2.9600  1.1500  0.8825
  N  3.0400  0.6500  0.6300
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [18.9253]
_cell_length_b [4.0135]
_cell_length_c [11.9541]
_cell_angle_alpha [90.0000]
_cell_angle_beta [124.4188]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [LaYBr3N]
_chemical_formula_sum '[La4 Y4 Br12 N4]'
_cell_volume [749.0230]
_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  4  0.1355  0.0000  0.2849  1
  Y  Y1  4  0.0721  0.5000  0.9607  1
  Br  Br2  4  0.0411  0.0000  0.7597  1
  Br  Br3  4  0.1665  0.5000  0.5110  1
  Br  Br4  4  0.2079  0.0000  0.1097  1
  N  N5  4  0.0715  0.5000  0.1486  1
]