data_FeBi4S7
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.57
_cell_length_b   6.57
_cell_length_c   11.92
_cell_angle_alpha   103.92
_cell_angle_beta   103.92
_cell_angle_gamma   34.52
_symmetry_Int_Tables_number   1
_chemical_formula_structural   FeBi4S7
_chemical_formula_sum   'Fe1 Bi4 S7'
_cell_volume   282.55
_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  0.78  0.0  0.77  1.0
  Bi  Bi1  1  0.54  0.0  0.95  1.0
  Bi  Bi2  1  0.02  0.0  0.58  1.0
  Bi  Bi3  1  0.27  0.0  0.89  1.0
  Bi  Bi4  1  0.28  0.0  0.64  1.0
  S  S5  1  0.68  0.0  0.69  1.0
  S  S6  1  0.87  0.0  0.85  1.0
  S  S7  1  0.55  0.0  0.88  1.0
  S  S8  1  1.0  0.0  0.65  1.0
  S  S9  1  0.95  0.0  0.22  1.0
  S  S10  1  0.6  0.0  0.32  1.0
  S  S11  1  0.0  0.0  0.0  1.0

data_FeBi4S7
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.9
_cell_length_b   6.57
_cell_length_c   11.92
_cell_angle_alpha   103.92
_cell_angle_beta   90.0
_cell_angle_gamma   107.26
_symmetry_Int_Tables_number   1
_chemical_formula_structural   FeBi4S7
_chemical_formula_sum   'Fe1 Bi4 S7'
_cell_volume   282.55
_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  0.0  0.22  0.23  1.0
  Bi  Bi1  1  0.0  0.46  0.05  1.0
  Bi  Bi2  1  0.0  0.72  0.36  1.0
  Bi  Bi3  1  0.0  0.73  0.11  1.0
  Bi  Bi4  1  0.0  0.98  0.42  1.0
  S  S5  1  0.0  0.0  0.0  1.0
  S  S6  1  0.0  0.0  0.35  1.0
  S  S7  1  0.0  0.05  0.78  1.0
  S  S8  1  0.0  0.13  0.15  1.0
  S  S9  1  0.0  0.32  0.31  1.0
  S  S10  1  0.0  0.4  0.68  1.0
  S  S11  1  0.0  0.45  0.12  1.0

Fe Bi Bi Bi Bi S S S S S S S