# generated using pymatgen
data_LuThFe6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.10193807
_cell_length_b   5.10193807
_cell_length_c   16.70229824
_cell_angle_alpha   98.78526325
_cell_angle_beta   98.78526325
_cell_angle_gamma   59.99999906
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LuThFe6
_chemical_formula_sum   'Lu3 Th3 Fe18'
_cell_volume   370.60913540
_cell_formula_units_Z   3
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
  Lu  Lu0  1  0.42844400  0.42844400  0.28533300  1.0
  Lu  Lu1  1  0.92963900  0.92963900  0.78891800  1.0
  Lu  Lu2  1  0.07146900  0.07146900  0.21440600  1.0
  Th  Th3  1  0.57102500  0.57102500  0.71307400  1.0
  Th  Th4  1  0.00019700  0.00019700  0.00059000  1.0
  Th  Th5  1  0.49878500  0.49878500  0.49635400  1.0
  Fe  Fe6  1  0.45753700  0.95838600  0.37430900  1.0
  Fe  Fe7  1  0.95847300  0.45891300  0.87629900  1.0
  Fe  Fe8  1  0.95838600  0.95838600  0.37430900  1.0
  Fe  Fe9  1  0.45891300  0.45891300  0.87629900  1.0
  Fe  Fe10  1  0.95838600  0.45753700  0.37430900  1.0
  Fe  Fe11  1  0.45891300  0.95847300  0.87629900  1.0
  Fe  Fe12  1  0.04223400  0.54166100  0.12555600  1.0
  Fe  Fe13  1  0.54227600  0.04079400  0.62386400  1.0
  Fe  Fe14  1  0.54166100  0.54166100  0.12555600  1.0
  Fe  Fe15  1  0.04079400  0.04079400  0.62386400  1.0
  Fe  Fe16  1  0.54166100  0.04223400  0.12555600  1.0
  Fe  Fe17  1  0.04079400  0.54227600  0.62386400  1.0
  Fe  Fe18  1  0.33353200  0.33353200  0.00059700  1.0
  Fe  Fe19  1  0.83353100  0.83353100  0.50059300  1.0
  Fe  Fe20  1  0.16631400  0.16631400  0.49894300  1.0
  Fe  Fe21  1  0.66649300  0.66649300  0.99947800  1.0
  Fe  Fe22  1  0.75001500  0.75001500  0.25004600  1.0
  Fe  Fe23  1  0.25052900  0.25052900  0.75158700  1.0