# generated using pymatgen
data_SrY6FeBr12
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.10303961
_cell_length_b   9.10303892
_cell_length_c   9.10303851
_cell_angle_alpha   105.93267874
_cell_angle_beta   105.93267912
_cell_angle_gamma   105.93265814
_symmetry_Int_Tables_number   1
_chemical_formula_structural   SrY6FeBr12
_chemical_formula_sum   'Sr1 Y6 Fe1 Br12'
_cell_volume   645.62835984
_cell_formula_units_Z   1
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
  Sr  Sr0  1  0.50000000  0.50000000  0.50000000  1.0
  Y  Y1  1  0.09700873  0.30323986  0.01709553  1.0
  Y  Y2  1  0.01709553  0.09700873  0.30323986  1.0
  Y  Y3  1  0.30323986  0.01709553  0.09700873  1.0
  Y  Y4  1  0.90299127  0.69676014  0.98290447  1.0
  Y  Y5  1  0.98290447  0.90299127  0.69676014  1.0
  Y  Y6  1  0.69676014  0.98290447  0.90299127  1.0
  Fe  Fe7  1  0.00000000  0.00000000  0.00000000  1.0
  Br  Br8  1  0.44647413  0.36407800  0.13664887  1.0
  Br  Br9  1  0.13664887  0.44647413  0.36407800  1.0
  Br  Br10  1  0.36407800  0.13664887  0.44647413  1.0
  Br  Br11  1  0.55352587  0.63592200  0.86335113  1.0
  Br  Br12  1  0.86335113  0.55352587  0.63592200  1.0
  Br  Br13  1  0.63592200  0.86335113  0.55352587  1.0
  Br  Br14  1  0.77796579  0.32623195  0.92568012  1.0
  Br  Br15  1  0.92568012  0.77796579  0.32623195  1.0
  Br  Br16  1  0.32623195  0.92568012  0.77796579  1.0
  Br  Br17  1  0.22203421  0.67376805  0.07431988  1.0
  Br  Br18  1  0.07431988  0.22203421  0.67376805  1.0
  Br  Br19  1  0.67376805  0.07431988  0.22203421  1.0