# generated using pymatgen
data_Ca(TcB)4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.33929265
_cell_length_b   7.33929265
_cell_length_c   4.21753820
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ca(TcB)4
_chemical_formula_sum   'Ca2 Tc8 B8'
_cell_volume   227.17860881
_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
  Ca  Ca0  1  0.00000000  0.00000000  0.00000000  1.0
  Ca  Ca1  1  0.50000000  0.50000000  0.50000000  1.0
  Tc  Tc2  1  0.86743492  0.37385730  0.13610358  1.0
  Tc  Tc3  1  0.13256508  0.62614270  0.13610358  1.0
  Tc  Tc4  1  0.87385730  0.63256508  0.63610358  1.0
  Tc  Tc5  1  0.12614270  0.36743492  0.63610358  1.0
  Tc  Tc6  1  0.63256508  0.12614270  0.36389642  1.0
  Tc  Tc7  1  0.36743492  0.87385730  0.36389642  1.0
  Tc  Tc8  1  0.62614270  0.86743492  0.86389642  1.0
  Tc  Tc9  1  0.37385730  0.13256508  0.86389642  1.0
  B  B10  1  0.32547328  0.81606641  0.86710671  1.0
  B  B11  1  0.67452672  0.18393359  0.86710671  1.0
  B  B12  1  0.31606641  0.17452672  0.36710671  1.0
  B  B13  1  0.68393359  0.82547328  0.36710671  1.0
  B  B14  1  0.17452672  0.68393359  0.63289329  1.0
  B  B15  1  0.82547328  0.31606641  0.63289329  1.0
  B  B16  1  0.18393359  0.32547328  0.13289329  1.0
  B  B17  1  0.81606641  0.67452672  0.13289329  1.0