# generated using pymatgen
data_Y4CBr6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.88192587
_cell_length_b   12.92678354
_cell_length_c   13.35201474
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Y4CBr6
_chemical_formula_sum   'Y8 C2 Br12'
_cell_volume   670.01498783
_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  1  0.00000000  0.09857584  0.07892730  1.0
  Y  Y1  1  0.00000000  0.90142416  0.92107270  1.0
  Y  Y2  1  0.00000000  0.59857584  0.42107270  1.0
  Y  Y3  1  0.00000000  0.40142416  0.57892730  1.0
  Y  Y4  1  0.50000000  0.12133768  0.85783490  1.0
  Y  Y5  1  0.50000000  0.87866232  0.14216510  1.0
  Y  Y6  1  0.50000000  0.62133768  0.64216510  1.0
  Y  Y7  1  0.50000000  0.37866232  0.35783490  1.0
  C  C8  1  0.50000000  0.00000000  0.00000000  1.0
  C  C9  1  0.50000000  0.50000000  0.50000000  1.0
  Br  Br10  1  0.50000000  0.26842625  0.68342321  1.0
  Br  Br11  1  0.50000000  0.73157375  0.31657679  1.0
  Br  Br12  1  0.50000000  0.76842625  0.81657679  1.0
  Br  Br13  1  0.50000000  0.23157375  0.18342321  1.0
  Br  Br14  1  0.00000000  0.26362185  0.93391777  1.0
  Br  Br15  1  0.00000000  0.73637815  0.06608223  1.0
  Br  Br16  1  0.00000000  0.48271114  0.23678550  1.0
  Br  Br17  1  0.00000000  0.51728886  0.76321450  1.0
  Br  Br18  1  0.00000000  0.98271114  0.26321450  1.0
  Br  Br19  1  0.00000000  0.01728886  0.73678550  1.0
  Br  Br20  1  0.00000000  0.23637815  0.43391777  1.0
  Br  Br21  1  0.00000000  0.76362185  0.56608223  1.0