data_[La4Dy4C2I2Br8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  La  1.1000  1.9500  1.1720
  Dy  1.2200  1.7500  1.1310
  C  2.5500  0.7000  0.3000
  I  2.6600  1.4000  1.2733
  Br  2.9600  1.1500  0.8825
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [18.1460]
_cell_length_b [3.9910]
_cell_length_c [9.0549]
_cell_angle_alpha [90.0000]
_cell_angle_beta [103.0572]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [La2Dy2CIBr4]
_chemical_formula_sum '[La4 Dy4 C2 I2 Br8]'
_cell_volume [638.8051]
_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  0.0011  0.0000  0.8032  1
  Dy  Dy1  4  0.1364  0.5000  0.0664  1
  C  C2  2  0.0000  0.5000  0.0000  1
  I  I3  2  0.0000  0.5000  0.5000  1
  Br  Br4  4  0.1711  0.0000  0.3006  1
  Br  Br5  4  0.1755  0.0000  0.8620  1
]