data_[La8C4Br6]
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
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [15.2122]
_cell_length_b [3.7200]
_cell_length_c [9.0817]
_cell_angle_alpha [90.0000]
_cell_angle_beta [102.9124]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [La4C2Br3]
_chemical_formula_sum '[La8 C4 Br6]'
_cell_volume [500.9398]
_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  0.0943  0.0000  0.7062  1
  La  La1  4  0.1824  0.5000  0.1049  1
  C  C2  4  0.1907  0.5000  0.8389  1
  Br  Br3  4  0.0918  0.5000  0.4030  1
  Br  Br4  2  0.0000  0.0000  0.0000  1
]