# generated using pymatgen
data_CaScTcB6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.55553627
_cell_length_b   9.06473160
_cell_length_c   11.40996013
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CaScTcB6
_chemical_formula_sum   'Ca4 Sc4 Tc4 B24'
_cell_volume   367.74281000
_cell_formula_units_Z   4
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
  Ca  Ca0  1  0.00000000  0.32442152  0.41562947  1.0
  Ca  Ca1  1  0.00000000  0.67557848  0.58437053  1.0
  Ca  Ca2  1  0.00000000  0.82442152  0.08437053  1.0
  Ca  Ca3  1  0.00000000  0.17557848  0.91562947  1.0
  Sc  Sc4  1  0.00000000  0.94329010  0.36598387  1.0
  Sc  Sc5  1  0.00000000  0.05670990  0.63401613  1.0
  Sc  Sc6  1  0.00000000  0.44329010  0.13401613  1.0
  Sc  Sc7  1  0.00000000  0.55670990  0.86598387  1.0
  Tc  Tc8  1  0.00000000  0.64475829  0.31650238  1.0
  Tc  Tc9  1  0.00000000  0.35524171  0.68349762  1.0
  Tc  Tc10  1  0.00000000  0.14475829  0.18349762  1.0
  Tc  Tc11  1  0.00000000  0.85524171  0.81650238  1.0
  B  B12  1  0.50000000  0.55516184  0.43198602  1.0
  B  B13  1  0.50000000  0.44483816  0.56801398  1.0
  B  B14  1  0.50000000  0.05516184  0.06801398  1.0
  B  B15  1  0.50000000  0.94483816  0.93198602  1.0
  B  B16  1  0.50000000  0.75497630  0.41744982  1.0
  B  B17  1  0.50000000  0.24502370  0.58255018  1.0
  B  B18  1  0.50000000  0.25497630  0.08255018  1.0
  B  B19  1  0.50000000  0.74502370  0.91744982  1.0
  B  B20  1  0.50000000  0.79679491  0.26347921  1.0
  B  B21  1  0.50000000  0.20320509  0.73652079  1.0
  B  B22  1  0.50000000  0.29679491  0.23652079  1.0
  B  B23  1  0.50000000  0.70320509  0.76347921  1.0
  B  B24  1  0.50000000  0.63028681  0.18273746  1.0
  B  B25  1  0.50000000  0.36971319  0.81726254  1.0
  B  B26  1  0.50000000  0.13028681  0.31726254  1.0
  B  B27  1  0.50000000  0.86971319  0.68273746  1.0
  B  B28  1  0.50000000  0.98313401  0.21314585  1.0
  B  B29  1  0.50000000  0.01686599  0.78685415  1.0
  B  B30  1  0.50000000  0.48313401  0.28685415  1.0
  B  B31  1  0.50000000  0.51686599  0.71314585  1.0
  B  B32  1  0.50000000  0.59151690  0.02432835  1.0
  B  B33  1  0.50000000  0.40848310  0.97567165  1.0
  B  B34  1  0.50000000  0.09151690  0.47567165  1.0
  B  B35  1  0.50000000  0.90848310  0.52432835  1.0