# generated using pymatgen
data_CaY(NiB4)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.82264700
_cell_length_b   6.82264819
_cell_length_c   6.82264814
_cell_angle_alpha   112.95753650
_cell_angle_beta   112.95753412
_cell_angle_gamma   102.70331185
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CaY(NiB4)2
_chemical_formula_sum   'Ca2 Y2 Ni4 B16'
_cell_volume   241.95988250
_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  0.79804474  0.79804474  1.00000000  1.0
  Ca  Ca1  1  0.20195526  0.20195526  0.00000000  1.0
  Y  Y2  1  0.75000000  0.25000000  0.50000000  1.0
  Y  Y3  1  0.25000000  0.75000000  0.50000000  1.0
  Ni  Ni4  1  0.27472242  0.50000000  0.77472242  1.0
  Ni  Ni5  1  0.72527758  0.50000000  0.22527758  1.0
  Ni  Ni6  1  0.50000000  0.72527758  0.22527758  1.0
  Ni  Ni7  1  0.50000000  0.27472242  0.77472242  1.0
  B  B8  1  0.27804075  0.11295141  0.39099315  1.0
  B  B9  1  0.72195925  0.88704859  0.60900685  1.0
  B  B10  1  0.27804075  0.88704859  0.16508934  1.0
  B  B11  1  0.72195925  0.11295141  0.83491066  1.0
  B  B12  1  0.11295141  0.72195925  0.83491066  1.0
  B  B13  1  0.88704859  0.27804075  0.16508934  1.0
  B  B14  1  0.11295141  0.27804075  0.39099315  1.0
  B  B15  1  0.88704859  0.72195925  0.60900685  1.0
  B  B16  1  0.11404430  0.11404430  0.53116821  1.0
  B  B17  1  0.58287709  0.58287709  0.46883179  1.0
  B  B18  1  0.11404430  0.58287709  0.00000000  1.0
  B  B19  1  0.58287709  0.11404430  0.00000000  1.0
  B  B20  1  0.88595570  0.88595570  0.46883179  1.0
  B  B21  1  0.41712291  0.41712291  0.53116821  1.0
  B  B22  1  0.88595570  0.41712291  1.00000000  1.0
  B  B23  1  0.41712291  0.88595570  1.00000000  1.0