# generated using pymatgen
data_SrHo6FeBr12
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.04302085
_cell_length_b   9.04302125
_cell_length_c   9.04302081
_cell_angle_alpha   105.87683937
_cell_angle_beta   105.87684859
_cell_angle_gamma   105.87684496
_symmetry_Int_Tables_number   1
_chemical_formula_structural   SrHo6FeBr12
_chemical_formula_sum   'Sr1 Ho6 Fe1 Br12'
_cell_volume   633.78958265
_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  0.00000000  0.00000000  0.00000000  1.0
  Ho  Ho1  1  0.40410327  0.48385301  0.19915390  1.0
  Ho  Ho2  1  0.19915390  0.40410327  0.48385301  1.0
  Ho  Ho3  1  0.48385301  0.19915390  0.40410327  1.0
  Ho  Ho4  1  0.59589673  0.51614699  0.80084610  1.0
  Ho  Ho5  1  0.80084610  0.59589673  0.51614699  1.0
  Ho  Ho6  1  0.51614699  0.80084610  0.59589673  1.0
  Fe  Fe7  1  0.50000000  0.50000000  0.50000000  1.0
  Br  Br8  1  0.05441820  0.36595952  0.13774648  1.0
  Br  Br9  1  0.13774648  0.05441820  0.36595952  1.0
  Br  Br10  1  0.36595952  0.13774648  0.05441820  1.0
  Br  Br11  1  0.94558180  0.63404048  0.86225352  1.0
  Br  Br12  1  0.86225352  0.94558180  0.63404048  1.0
  Br  Br13  1  0.63404048  0.86225352  0.94558180  1.0
  Br  Br14  1  0.72233891  0.57510228  0.17441388  1.0
  Br  Br15  1  0.17441388  0.72233891  0.57510228  1.0
  Br  Br16  1  0.57510228  0.17441388  0.72233891  1.0
  Br  Br17  1  0.27766109  0.42489772  0.82558612  1.0
  Br  Br18  1  0.82558612  0.27766109  0.42489772  1.0
  Br  Br19  1  0.42489772  0.82558612  0.27766109  1.0