# generated using pymatgen
data_CaTm(NiB4)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.79335063
_cell_length_b   6.79335139
_cell_length_c   6.79335100
_cell_angle_alpha   112.98423835
_cell_angle_beta   112.98423824
_cell_angle_gamma   102.65290822
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CaTm(NiB4)2
_chemical_formula_sum   'Ca2 Tm2 Ni4 B16'
_cell_volume   238.81951828
_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  0.79822360  0.79822360  1.00000000  1.0
  Ca  Ca1  1  0.20177640  0.20177640  0.00000000  1.0
  Tm  Tm2  1  0.75000000  0.25000000  0.50000000  1.0
  Tm  Tm3  1  0.25000000  0.75000000  0.50000000  1.0
  Ni  Ni4  1  0.27381783  0.50000000  0.77381783  1.0
  Ni  Ni5  1  0.72618217  0.50000000  0.22618217  1.0
  Ni  Ni6  1  0.50000000  0.72618217  0.22618217  1.0
  Ni  Ni7  1  0.50000000  0.27381783  0.77381783  1.0
  B  B8  1  0.27822383  0.11272830  0.39095313  1.0
  B  B9  1  0.72177617  0.88727170  0.60904687  1.0
  B  B10  1  0.27822383  0.88727170  0.16549452  1.0
  B  B11  1  0.72177617  0.11272830  0.83450548  1.0
  B  B12  1  0.11272830  0.72177617  0.83450548  1.0
  B  B13  1  0.88727170  0.27822383  0.16549452  1.0
  B  B14  1  0.11272830  0.27822383  0.39095313  1.0
  B  B15  1  0.88727170  0.72177617  0.60904687  1.0
  B  B16  1  0.11405254  0.11405254  0.53173912  1.0
  B  B17  1  0.58231442  0.58231442  0.46826088  1.0
  B  B18  1  0.11405254  0.58231442  0.00000000  1.0
  B  B19  1  0.58231442  0.11405254  0.00000000  1.0
  B  B20  1  0.88594746  0.88594746  0.46826088  1.0
  B  B21  1  0.41768558  0.41768558  0.53173912  1.0
  B  B22  1  0.88594746  0.41768558  1.00000000  1.0
  B  B23  1  0.41768558  0.88594746  1.00000000  1.0