# generated using pymatgen
data_Fe4Cu2S7
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.12039550
_cell_length_b   8.27593562
_cell_length_c   11.70760853
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Fe4Cu2S7
_chemical_formula_sum   'Fe8 Cu4 S14'
_cell_volume   496.12236258
_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
  Fe  Fe0  1  0.00040500  0.34693800  0.27240100  1
  Fe  Fe1  1  0.50040500  0.65306200  0.72759900  1
  Fe  Fe2  1  0.99959500  0.34693800  0.72759900  1
  Fe  Fe3  1  0.49959500  0.65306200  0.27240100  1
  Fe  Fe4  1  0.99959500  0.65306200  0.72759900  1
  Fe  Fe5  1  0.49959500  0.34693800  0.27240100  1
  Fe  Fe6  1  0.00040500  0.65306200  0.27240100  1
  Fe  Fe7  1  0.50040500  0.34693800  0.72759900  1
  Cu  Cu8  1  0.98924400  0.00000000  0.22744200  1
  Cu  Cu9  1  0.48924400  0.00000000  0.77255800  1
  Cu  Cu10  1  0.01075600  0.00000000  0.77255800  1
  Cu  Cu11  1  0.51075600  0.00000000  0.22744200  1
  S  S12  1  0.25000000  0.21470500  0.16197300  1
  S  S13  1  0.75000000  0.78529500  0.83802700  1
  S  S14  1  0.75000000  0.21470500  0.83802700  1
  S  S15  1  0.25000000  0.78529500  0.16197300  1
  S  S16  1  0.25000000  0.50000000  0.83222000  1
  S  S17  1  0.75000000  0.50000000  0.16778000  1
  S  S18  1  0.25000000  0.00000000  0.94523800  1
  S  S19  1  0.75000000  0.00000000  0.05476200  1
  S  S20  1  0.25000000  0.19128000  0.63397600  1
  S  S21  1  0.75000000  0.80872000  0.36602400  1
  S  S22  1  0.75000000  0.19128000  0.36602400  1
  S  S23  1  0.25000000  0.80872000  0.63397600  1
  S  S24  1  0.25000000  0.50000000  0.37854600  1
  S  S25  1  0.75000000  0.50000000  0.62145400  1
