# generated using pymatgen
data_Y4FeS7
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   12.41160997
_cell_length_b   3.78994115
_cell_length_c   11.38308472
_cell_angle_alpha   90.00000000
_cell_angle_beta   104.48618399
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Y4FeS7
_chemical_formula_sum   'Y8 Fe2 S14'
_cell_volume   518.42891411
_cell_formula_units_Z   2
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
  Y  Y0  1  0.69345800  0.00000000  0.79172800  1
  Y  Y1  1  0.80653800  0.50000000  0.19969700  1
  Y  Y2  1  0.99935100  0.00000000  0.99286100  1
  Y  Y3  1  0.61185700  0.50000000  0.43732800  1
  Y  Y4  1  0.19345800  0.50000000  0.79172800  1
  Y  Y5  1  0.30653800  0.00000000  0.19969700  1
  Y  Y6  1  0.49935100  0.50000000  0.99286100  1
  Y  Y7  1  0.11185700  0.00000000  0.43732800  1
  Fe  Fe8  1  0.88896100  0.00000000  0.57505900  1
  Fe  Fe9  1  0.38896100  0.50000000  0.57505900  1
  S  S10  1  0.74612700  0.00000000  0.36409500  1
  S  S11  1  0.77172400  0.50000000  0.64596700  1
  S  S12  1  0.83754000  0.50000000  0.94795900  1
  S  S13  1  0.65990200  0.00000000  0.05150400  1
  S  S14  1  0.53080300  0.50000000  0.76987400  1
  S  S15  1  0.96462300  0.00000000  0.21652200  1
  S  S16  1  0.98911500  0.50000000  0.50740600  1
  S  S17  1  0.24612700  0.50000000  0.36409500  1
  S  S18  1  0.27172400  0.00000000  0.64596700  1
  S  S19  1  0.33754000  0.00000000  0.94795900  1
  S  S20  1  0.15990200  0.50000000  0.05150400  1
  S  S21  1  0.03080300  0.00000000  0.76987400  1
  S  S22  1  0.46462300  0.50000000  0.21652200  1
  S  S23  1  0.48911500  0.00000000  0.50740600  1
