# generated using pymatgen
data_Tm3Sc(CrB4)4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.38391847
_cell_length_b   5.87239628
_cell_length_c   11.34331135
_cell_angle_alpha   90.11167217
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Tm3Sc(CrB4)4
_chemical_formula_sum   'Tm3 Sc1 Cr4 B16'
_cell_volume   225.41056838
_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
  Tm  Tm0  1  0.00000000  0.37431258  0.64997050  1.0
  Tm  Tm1  1  0.00000000  0.12582566  0.15163958  1.0
  Tm  Tm2  1  0.00000000  0.87443526  0.84937818  1.0
  Sc  Sc3  1  0.00000000  0.62526859  0.34968087  1.0
  Cr  Cr4  1  0.00000000  0.62721461  0.08424286  1.0
  Cr  Cr5  1  0.00000000  0.37339158  0.91810611  1.0
  Cr  Cr6  1  0.00000000  0.12672744  0.41647441  1.0
  Cr  Cr7  1  0.00000000  0.87190328  0.58081980  1.0
  B  B8  1  0.50000000  0.78330075  0.18664697  1.0
  B  B9  1  0.50000000  0.21661623  0.81535316  1.0
  B  B10  1  0.50000000  0.28654165  0.31546607  1.0
  B  B11  1  0.50000000  0.71647795  0.68387247  1.0
  B  B12  1  0.50000000  0.86370644  0.03295572  1.0
  B  B13  1  0.50000000  0.13642948  0.96877430  1.0
  B  B14  1  0.50000000  0.36470944  0.46674522  1.0
  B  B15  1  0.50000000  0.63502683  0.53000586  1.0
  B  B16  1  0.50000000  0.88289207  0.45075622  1.0
  B  B17  1  0.50000000  0.11304429  0.54591155  1.0
  B  B18  1  0.50000000  0.38679393  0.04835823  1.0
  B  B19  1  0.50000000  0.61425675  0.95351024  1.0
  B  B20  1  0.50000000  0.97445920  0.30762450  1.0
  B  B21  1  0.50000000  0.02433432  0.69111321  1.0
  B  B22  1  0.50000000  0.47759503  0.19439957  1.0
  B  B23  1  0.50000000  0.52473763  0.80819541  1.0