# generated using pymatgen
data_CaDy(NiB4)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.82026820
_cell_length_b   6.82026823
_cell_length_c   6.82026937
_cell_angle_alpha   112.96020961
_cell_angle_beta   112.96020446
_cell_angle_gamma   102.69826227
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CaDy(NiB4)2
_chemical_formula_sum   'Ca2 Dy2 Ni4 B16'
_cell_volume   241.70314755
_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  0.79793667  0.79793667  1.00000000  1.0
  Ca  Ca1  1  0.20206333  0.20206333  0.00000000  1.0
  Dy  Dy2  1  0.75000000  0.25000000  0.50000000  1.0
  Dy  Dy3  1  0.25000000  0.75000000  0.50000000  1.0
  Ni  Ni4  1  0.27435615  0.50000000  0.77435615  1.0
  Ni  Ni5  1  0.72564385  0.50000000  0.22564385  1.0
  Ni  Ni6  1  0.50000000  0.72564385  0.22564385  1.0
  Ni  Ni7  1  0.50000000  0.27435615  0.77435615  1.0
  B  B8  1  0.27811229  0.11295208  0.39106337  1.0
  B  B9  1  0.72188771  0.88704792  0.60893663  1.0
  B  B10  1  0.27811229  0.88704792  0.16516021  1.0
  B  B11  1  0.72188771  0.11295208  0.83483979  1.0
  B  B12  1  0.11295208  0.72188771  0.83483979  1.0
  B  B13  1  0.88704792  0.27811229  0.16516021  1.0
  B  B14  1  0.11295208  0.27811229  0.39106337  1.0
  B  B15  1  0.88704792  0.72188771  0.60893663  1.0
  B  B16  1  0.11410071  0.11410071  0.53138461  1.0
  B  B17  1  0.58271510  0.58271510  0.46861539  1.0
  B  B18  1  0.11410071  0.58271510  0.00000000  1.0
  B  B19  1  0.58271510  0.11410071  0.00000000  1.0
  B  B20  1  0.88589929  0.88589929  0.46861539  1.0
  B  B21  1  0.41728490  0.41728490  0.53138461  1.0
  B  B22  1  0.88589929  0.41728490  1.00000000  1.0
  B  B23  1  0.41728490  0.88589929  1.00000000  1.0