data_[Y8C8Br4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Y  1.2200  1.8000  1.0400
  C  2.5500  0.7000  0.3000
  Br  2.9600  1.1500  0.8825
]
_symmetry_space_group_name_H-M [C2/c]
_cell_length_a [15.0000]
_cell_length_b [4.0103]
_cell_length_c [6.5941]
_cell_angle_alpha [90.0000]
_cell_angle_beta [102.6356]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [Y2C2Br]
_chemical_formula_sum '[Y8 C8 Br4]'
_cell_volume [387.0560]
_cell_formula_units_Z [4]
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
[
  Y  Y0  8  0.1584  0.3148  0.1558  1.0
  C  C1  8  0.2202  0.1368  0.5271  1.0
  Br  Br2  4  0.0000  0.2523  0.7500  1.0
]