# generated using pymatgen
data_CaSc(SiTc2)4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.21839681
_cell_length_b   7.21839681
_cell_length_c   4.16688429
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   88.28974976
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CaSc(SiTc2)4
_chemical_formula_sum   'Ca1 Sc1 Si4 Tc8'
_cell_volume   217.01984091
_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
  Ca  Ca0  1  0.50000000  0.50000000  0.00000000  1.0
  Sc  Sc1  1  0.00000000  0.00000000  0.50000000  1.0
  Si  Si2  1  0.71264267  0.71264267  0.50000000  1.0
  Si  Si3  1  0.28735733  0.28735733  0.50000000  1.0
  Si  Si4  1  0.20198041  0.79801959  0.00000000  1.0
  Si  Si5  1  0.79801959  0.20198041  0.00000000  1.0
  Tc  Tc6  1  0.60581903  0.14850630  0.50000000  1.0
  Tc  Tc7  1  0.39418097  0.85149370  0.50000000  1.0
  Tc  Tc8  1  0.09133145  0.33996672  0.00000000  1.0
  Tc  Tc9  1  0.90866855  0.66003328  0.00000000  1.0
  Tc  Tc10  1  0.14850630  0.60581903  0.50000000  1.0
  Tc  Tc11  1  0.85149370  0.39418097  0.50000000  1.0
  Tc  Tc12  1  0.33996672  0.09133145  0.00000000  1.0
  Tc  Tc13  1  0.66003328  0.90866855  0.00000000  1.0