data_[Y8C2Br6F4]
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
  F  3.9800  0.5000  0.7050
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [16.8303]
_cell_length_b [3.7041]
_cell_length_c [7.8929]
_cell_angle_alpha [90.0000]
_cell_angle_beta [99.5322]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Y4CBr3F2]
_chemical_formula_sum '[Y8 C2 Br6 F4]'
_cell_volume [485.2500]
_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
[
  Y  Y0  4  0.0004  0.0000  0.2055  1
  Y  Y1  4  0.1422  0.5000  0.0738  1
  C  C2  2  0.0000  0.5000  0.0000  1
  Br  Br3  4  0.1759  0.0000  0.8086  1
  Br  Br4  2  0.0000  0.5000  0.5000  1
  F  F5  4  0.1436  0.0000  0.2528  1
]