data_[La16Co6C2Br8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  La  1.1000  1.9500  1.1720
  Co  1.8800  1.3500  0.7683
  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 [14.5512]
_cell_length_b [7.8370]
_cell_length_c [9.0214]
_cell_angle_alpha [90.0000]
_cell_angle_beta [120.8120]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [La8Co3CBr4]
_chemical_formula_sum '[La16 Co6 C2 Br8]'
_cell_volume [883.5709]
_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  8  0.0092  0.2442  0.3133  1.0
  La  La1  4  0.2315  0.0000  0.6814  1.0
  La  La2  4  0.2420  0.5000  0.6956  1.0
  Co  Co3  4  0.2500  0.2500  0.5000  1.0
  Co  Co4  2  0.0000  0.5000  0.5000  1.0
  C  C5  2  0.0000  0.0000  0.5000  1.0
  Br  Br6  4  0.2500  0.2500  0.0000  1.0
  Br  Br7  2  0.0000  0.0000  0.0000  1.0
  Br  Br8  2  0.0000  0.5000  0.0000  1.0
]