data_[La2C2Br2N4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  La  1.1000  1.9500  1.1720
  C  2.5500  0.7000  0.3000
  Br  2.9600  1.1500  0.8825
  N  3.0400  0.6500  0.6300
]
_symmetry_space_group_name_H-M [P2_1/m]
_cell_length_a [5.4016]
_cell_length_b [4.0546]
_cell_length_c [7.8107]
_cell_angle_alpha [90.0000]
_cell_angle_beta [99.8610]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [LaCBrN2]
_chemical_formula_sum '[La2 C2 Br2 N4]'
_cell_volume [168.5361]
_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  0.3238  0.2500  0.7747  1
  C  C1  2  0.1513  0.2500  0.1377  1
  Br  Br2  2  0.2416  0.7500  0.4544  1
  N  N3  2  0.0690  0.7500  0.8438  1
  N  N4  2  0.3747  0.2500  0.1148  1
]