# generated using pymatgen
data_CeNiB4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.88199671
_cell_length_b   6.88199671
_cell_length_c   6.88199671
_cell_angle_alpha   112.83165928
_cell_angle_beta   112.83165928
_cell_angle_gamma   102.94115258
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CeNiB4
_chemical_formula_sum   'Ce4 Ni4 B16'
_cell_volume   248.50602717
_cell_formula_units_Z   4
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
  Ce  Ce0  1  0.79943800  0.79943800  0.00000000  1.0
  Ce  Ce1  1  0.20056200  0.20056200  0.00000000  1.0
  Ce  Ce2  1  0.75000000  0.25000000  0.50000000  1.0
  Ce  Ce3  1  0.25000000  0.75000000  0.50000000  1.0
  Ni  Ni4  1  0.27167000  0.50000000  0.77167000  1.0
  Ni  Ni5  1  0.72833000  0.50000000  0.22833000  1.0
  Ni  Ni6  1  0.50000000  0.72833000  0.22833000  1.0
  Ni  Ni7  1  0.50000000  0.27167000  0.77167000  1.0
  B  B8  1  0.27442200  0.11136300  0.38578500  1.0
  B  B9  1  0.72557800  0.88863700  0.61421500  1.0
  B  B10  1  0.27442200  0.88863700  0.16305900  1.0
  B  B11  1  0.72557800  0.11136300  0.83694100  1.0
  B  B12  1  0.11136300  0.72557800  0.83694100  1.0
  B  B13  1  0.88863700  0.27442200  0.16305900  1.0
  B  B14  1  0.11136300  0.27442200  0.38578500  1.0
  B  B15  1  0.88863700  0.72557800  0.61421500  1.0
  B  B16  1  0.11309700  0.11309700  0.53153300  1.0
  B  B17  1  0.58156300  0.58156300  0.46846700  1.0
  B  B18  1  0.11309700  0.58156300  0.00000000  1.0
  B  B19  1  0.58156300  0.11309700  0.00000000  1.0
  B  B20  1  0.88690300  0.88690300  0.46846700  1.0
  B  B21  1  0.41843700  0.41843700  0.53153300  1.0
  B  B22  1  0.88690300  0.41843700  0.00000000  1.0
  B  B23  1  0.41843700  0.88690300  0.00000000  1.0