# generated using pymatgen
data_Cs3LiSc2Br9
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   13.41292153
_cell_length_b   13.41292275
_cell_length_c   6.42389379
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   120.00000162
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Cs3LiSc2Br9
_chemical_formula_sum   'Cs6 Li2 Sc4 Br18'
_cell_volume   1000.86564789
_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
  Cs  Cs0  1  0.01081746  0.33343198  0.75162244  1.0
  Cs  Cs1  1  0.32267789  0.33305249  0.25132491  1.0
  Cs  Cs2  1  0.66656802  0.67738548  0.75162244  1.0
  Cs  Cs3  1  0.01037560  0.67732211  0.25132491  1.0
  Cs  Cs4  1  0.32261452  0.98918254  0.75162244  1.0
  Cs  Cs5  1  0.66694751  0.98962440  0.25132491  1.0
  Li  Li6  1  0.33333300  0.66666700  0.51095248  1.0
  Li  Li7  1  0.00000000  0.00000000  0.00247025  1.0
  Sc  Sc8  1  0.66666700  0.33333300  0.48523699  1.0
  Sc  Sc9  1  0.00000000  0.00000000  0.50273813  1.0
  Sc  Sc10  1  0.66666700  0.33333300  0.98482450  1.0
  Sc  Sc11  1  0.33333300  0.66666700  0.01152897  1.0
  Br  Br12  1  0.83146357  0.49653638  0.73486302  1.0
  Br  Br13  1  0.33515175  0.50635168  0.76685083  1.0
  Br  Br14  1  0.17119993  0.66484825  0.76685083  1.0
  Br  Br15  1  0.82979914  0.33171224  0.23488159  1.0
  Br  Br16  1  0.17083845  0.50607395  0.25580605  1.0
  Br  Br17  1  0.16240485  0.00191773  0.25809270  1.0
  Br  Br18  1  0.33523549  0.82916155  0.25580605  1.0
  Br  Br19  1  0.49364832  0.82880007  0.76685083  1.0
  Br  Br20  1  0.66507282  0.16853643  0.73486302  1.0
  Br  Br21  1  0.66828776  0.49808590  0.23488159  1.0
  Br  Br22  1  0.99808227  0.16048612  0.25809270  1.0
  Br  Br23  1  0.16257143  0.16057039  0.74730768  1.0
  Br  Br24  1  0.83942961  0.00200105  0.74730768  1.0
  Br  Br25  1  0.99799895  0.83742857  0.74730768  1.0
  Br  Br26  1  0.83951388  0.83759515  0.25809270  1.0
  Br  Br27  1  0.50191410  0.17020086  0.23488159  1.0
  Br  Br28  1  0.49392605  0.66476451  0.25580605  1.0
  Br  Br29  1  0.50346362  0.33492718  0.73486302  1.0