# generated using pymatgen
data_ErTh7(FeSi3)4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.14524563
_cell_length_b   8.14524641
_cell_length_c   8.26855817
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   119.99999681
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ErTh7(FeSi3)4
_chemical_formula_sum   'Er1 Th7 Fe4 Si12'
_cell_volume   475.08229311
_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
  Er  Er0  1  0.00000000  0.00000000  0.75000000  1.0
  Th  Th1  1  0.49998734  0.99997568  0.25000000  1.0
  Th  Th2  1  0.49996000  0.99991899  0.75000000  1.0
  Th  Th3  1  0.00002432  0.50001266  0.25000000  1.0
  Th  Th4  1  0.00008101  0.50004000  0.75000000  1.0
  Th  Th5  1  0.49998734  0.50001266  0.25000000  1.0
  Th  Th6  1  0.49996000  0.50004000  0.75000000  1.0
  Th  Th7  1  0.00000000  0.00000000  0.25000000  1.0
  Fe  Fe8  1  0.33333300  0.66666700  0.98716255  1.0
  Fe  Fe9  1  0.66666700  0.33333300  0.98649900  1.0
  Fe  Fe10  1  0.66666700  0.33333300  0.51350100  1.0
  Fe  Fe11  1  0.33333300  0.66666700  0.51283745  1.0
  Si  Si12  1  0.16891851  0.33783802  0.99972357  1.0
  Si  Si13  1  0.83102963  0.66206025  0.99975092  1.0
  Si  Si14  1  0.66216198  0.83108149  0.99972357  1.0
  Si  Si15  1  0.83102963  0.66206025  0.50024908  1.0
  Si  Si16  1  0.33793975  0.16897037  0.99975092  1.0
  Si  Si17  1  0.16891851  0.33783802  0.50027643  1.0
  Si  Si18  1  0.16891851  0.83108149  0.99972357  1.0
  Si  Si19  1  0.33793975  0.16897037  0.50024908  1.0
  Si  Si20  1  0.83102963  0.16897037  0.99975092  1.0
  Si  Si21  1  0.66216198  0.83108149  0.50027643  1.0
  Si  Si22  1  0.83102963  0.16897037  0.50024908  1.0
  Si  Si23  1  0.16891851  0.83108149  0.50027643  1.0