# generated using pymatgen
data_FeBr2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.77489233
_cell_length_b   3.76894210
_cell_length_c   6.50339155
_cell_angle_alpha   89.66949213
_cell_angle_beta   90.25730205
_cell_angle_gamma   120.95762501
_symmetry_Int_Tables_number   1
_chemical_formula_structural   FeBr2
_chemical_formula_sum   'Fe1 Br2'
_cell_volume   79.34406625
_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
  Fe  Fe0  1  -0.00000949  -0.00000152  -0.00000040  1.0
  Br  Br1  1  0.66625197  0.33391329  0.22825766  1.0
  Br  Br2  1  0.33375752  0.66608823  0.77174275  1.0