data_[La12Co4C2Br6]
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 [6.9054]
_cell_length_b [12.3094]
_cell_length_c [8.0243]
_cell_angle_alpha [90.0000]
_cell_angle_beta [104.7445]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [La6Co2CBr3]
_chemical_formula_sum '[La12 Co4 C2 Br6]'
_cell_volume [659.6141]
_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  0.2384  0.8413  0.1808  1.0
  La  La1  4  0.2360  0.0000  0.7996  1.0
  Co  Co2  4  0.0000  0.3415  0.0000  1.0
  C  C3  2  0.0000  0.0000  0.0000  1.0
  Br  Br4  4  0.0000  0.1730  0.5000  1.0
  Br  Br5  2  0.0000  0.5000  0.5000  1.0
]