# generated using pymatgen
data_InFeBr3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.72158900
_cell_length_b   9.20757800
_cell_length_c   15.28497400
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   InFeBr3
_chemical_formula_sum   'In4 Fe4 Br12'
_cell_volume   523.76746807
_cell_formula_units_Z   4
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
  In  In0  1  0.75000000  0.55207800  0.67272700  1.0
  In  In1  1  0.25000000  0.44792200  0.32727300  1.0
  In  In2  1  0.25000000  0.94792200  0.17272700  1.0
  In  In3  1  0.75000000  0.05207800  0.82727300  1.0
  Fe  Fe4  1  0.25000000  0.64851900  0.95082300  1.0
  Fe  Fe5  1  0.75000000  0.85148100  0.45082300  1.0
  Fe  Fe6  1  0.25000000  0.14851900  0.54917700  1.0
  Fe  Fe7  1  0.75000000  0.35148100  0.04917700  1.0
  Br  Br8  1  0.25000000  0.01576200  0.40947200  1.0
  Br  Br9  1  0.75000000  0.23620800  0.19648900  1.0
  Br  Br10  1  0.25000000  0.69294900  0.49743600  1.0
  Br  Br11  1  0.75000000  0.73620800  0.30351100  1.0
  Br  Br12  1  0.25000000  0.51576200  0.09052800  1.0
  Br  Br13  1  0.25000000  0.19294900  0.00256400  1.0
  Br  Br14  1  0.75000000  0.80705100  0.99743600  1.0
  Br  Br15  1  0.75000000  0.98423800  0.59052800  1.0
  Br  Br16  1  0.75000000  0.48423800  0.90947200  1.0
  Br  Br17  1  0.25000000  0.26379200  0.69648900  1.0
  Br  Br18  1  0.75000000  0.30705100  0.50256400  1.0
  Br  Br19  1  0.25000000  0.76379200  0.80351100  1.0