data_[La4Co1C1Br2]
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 [P2/m]
_cell_length_a [7.2517]
_cell_length_b [3.8671]
_cell_length_c [8.0494]
_cell_angle_alpha [90.0000]
_cell_angle_beta [107.7361]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [10]
_chemical_formula_structural [La4CoCBr2]
_chemical_formula_sum '[La4 Co1 C1 Br2]'
_cell_volume [215.0015]
_cell_formula_units_Z [1]
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  0.2216  0.5000  0.1828  1.0
  La  La1  2  0.2974  0.0000  0.8106  1.0
  Co  Co2  1  0.0000  0.0000  0.0000  1.0
  C  C3  1  0.5000  0.5000  0.0000  1.0
  Br  Br4  1  0.0000  0.5000  0.5000  1.0
  Br  Br5  1  0.5000  0.0000  0.5000  1.0
]