# generated using pymatgen
data_Tm3Th(TcB6)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.69710414
_cell_length_b   9.13549621
_cell_length_c   11.53973286
_cell_angle_alpha   90.13459758
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Tm3Th(TcB6)2
_chemical_formula_sum   'Tm6 Th2 Tc4 B24'
_cell_volume   389.75202734
_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
  Tm  Tm0  1  0.00000000  0.82464268  0.08409971  1.0
  Tm  Tm1  1  0.00000000  0.17535732  0.91590029  1.0
  Tm  Tm2  1  0.00000000  0.94309439  0.36738104  1.0
  Tm  Tm3  1  0.00000000  0.05690561  0.63261896  1.0
  Tm  Tm4  1  0.00000000  0.44289368  0.12742735  1.0
  Tm  Tm5  1  0.00000000  0.55710632  0.87257265  1.0
  Th  Th6  1  0.00000000  0.32171882  0.41314347  1.0
  Th  Th7  1  0.00000000  0.67828118  0.58685653  1.0
  Tc  Tc8  1  0.00000000  0.63950185  0.31813772  1.0
  Tc  Tc9  1  0.00000000  0.36049815  0.68186228  1.0
  Tc  Tc10  1  0.00000000  0.13842314  0.17836333  1.0
  Tc  Tc11  1  0.00000000  0.86157686  0.82163667  1.0
  B  B12  1  0.50000000  0.55683098  0.42819065  1.0
  B  B13  1  0.50000000  0.44316902  0.57180935  1.0
  B  B14  1  0.50000000  0.05337544  0.06599671  1.0
  B  B15  1  0.50000000  0.94662456  0.93400329  1.0
  B  B16  1  0.50000000  0.75119112  0.41377534  1.0
  B  B17  1  0.50000000  0.24880888  0.58622466  1.0
  B  B18  1  0.50000000  0.24871798  0.07955645  1.0
  B  B19  1  0.50000000  0.75128202  0.92044355  1.0
  B  B20  1  0.50000000  0.79265431  0.26200897  1.0
  B  B21  1  0.50000000  0.20734569  0.73799103  1.0
  B  B22  1  0.50000000  0.29027527  0.23104372  1.0
  B  B23  1  0.50000000  0.70972473  0.76895628  1.0
  B  B24  1  0.50000000  0.63161867  0.18262815  1.0
  B  B25  1  0.50000000  0.36838133  0.81737185  1.0
  B  B26  1  0.50000000  0.12837700  0.31121717  1.0
  B  B27  1  0.50000000  0.87162300  0.68878283  1.0
  B  B28  1  0.50000000  0.98168789  0.20977388  1.0
  B  B29  1  0.50000000  0.01831211  0.79022612  1.0
  B  B30  1  0.50000000  0.48529555  0.28344493  1.0
  B  B31  1  0.50000000  0.51470445  0.71655507  1.0
  B  B32  1  0.50000000  0.60256992  0.02812931  1.0
  B  B33  1  0.50000000  0.39743008  0.97187069  1.0
  B  B34  1  0.50000000  0.09735843  0.47305989  1.0
  B  B35  1  0.50000000  0.90264157  0.52694011  1.0