# generated using pymatgen
data_FeAsSe
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.94387683
_cell_length_b   5.86664580
_cell_length_c   5.98338905
_cell_angle_alpha   90.00000000
_cell_angle_beta   113.18267109
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   FeAsSe
_chemical_formula_sum   'Fe4 As4 Se4'
_cell_volume   191.79737099
_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
  Fe  Fe0  1  0.72370100  0.99916100  0.70937600  1
  Fe  Fe1  1  0.27629900  0.49916100  0.79062400  1
  Fe  Fe2  1  0.27629900  0.00083900  0.29062400  1
  Fe  Fe3  1  0.72370100  0.50083900  0.20937600  1
  As  As4  1  0.85752800  0.63660600  0.62386600  1
  As  As5  1  0.14247200  0.13660600  0.87613400  1
  As  As6  1  0.14247200  0.36339400  0.37613400  1
  As  As7  1  0.85752800  0.86339400  0.12386600  1
  Se  Se8  1  0.65591400  0.36585300  0.82309700  1
  Se  Se9  1  0.34408600  0.86585300  0.67690300  1
  Se  Se10  1  0.34408600  0.63414700  0.17690300  1
  Se  Se11  1  0.65591400  0.13414700  0.32309700  1
