# generated using pymatgen
data_CaTb(NiB4)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.82772526
_cell_length_b   6.82772463
_cell_length_c   6.82772428
_cell_angle_alpha   112.94630618
_cell_angle_beta   112.94630744
_cell_angle_gamma   102.72450698
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CaTb(NiB4)2
_chemical_formula_sum   'Ca2 Tb2 Ni4 B16'
_cell_volume   242.51606997
_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  0.20218649  0.20218649  0.00000000  1.0
  Ca  Ca1  1  0.79781351  0.79781351  1.00000000  1.0
  Tb  Tb2  1  0.75000000  0.25000000  0.50000000  1.0
  Tb  Tb3  1  0.25000000  0.75000000  0.50000000  1.0
  Ni  Ni4  1  0.50000000  0.27454600  0.77454600  1.0
  Ni  Ni5  1  0.50000000  0.72545400  0.22545400  1.0
  Ni  Ni6  1  0.72545400  0.50000000  0.22545400  1.0
  Ni  Ni7  1  0.27454600  0.50000000  0.77454600  1.0
  B  B8  1  0.11299783  0.27799619  0.39099402  1.0
  B  B9  1  0.88700217  0.72200381  0.60900598  1.0
  B  B10  1  0.88700217  0.27799619  0.16499836  1.0
  B  B11  1  0.11299783  0.72200381  0.83500164  1.0
  B  B12  1  0.72200381  0.88700217  0.60900598  1.0
  B  B13  1  0.27799619  0.11299783  0.39099402  1.0
  B  B14  1  0.72200381  0.11299783  0.83500164  1.0
  B  B15  1  0.27799619  0.88700217  0.16499836  1.0
  B  B16  1  0.41701439  0.41701439  0.53104664  1.0
  B  B17  1  0.88596975  0.88596975  0.46895336  1.0
  B  B18  1  0.58298561  0.11403025  0.00000000  1.0
  B  B19  1  0.11403025  0.58298561  0.00000000  1.0
  B  B20  1  0.58298561  0.58298561  0.46895336  1.0
  B  B21  1  0.11403025  0.11403025  0.53104664  1.0
  B  B22  1  0.88596975  0.41701439  1.00000000  1.0
  B  B23  1  0.41701439  0.88596975  1.00000000  1.0