# generated using pymatgen
data_GdNiB4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.84981702
_cell_length_b   6.84981702
_cell_length_c   6.84981702
_cell_angle_alpha   112.88794647
_cell_angle_beta   112.88794647
_cell_angle_gamma   102.83473923
_symmetry_Int_Tables_number   1
_chemical_formula_structural   GdNiB4
_chemical_formula_sum   'Gd4 Ni4 B16'
_cell_volume   244.95909457
_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
  Gd  Gd0  1  0.20340100  0.20340100  0.00000000  1.0
  Gd  Gd1  1  0.79659900  0.79659900  0.00000000  1.0
  Gd  Gd2  1  0.75000000  0.25000000  0.50000000  1.0
  Gd  Gd3  1  0.25000000  0.75000000  0.50000000  1.0
  Ni  Ni4  1  0.50000000  0.27145600  0.77145600  1.0
  Ni  Ni5  1  0.50000000  0.72854400  0.22854400  1.0
  Ni  Ni6  1  0.72854400  0.50000000  0.22854400  1.0
  Ni  Ni7  1  0.27145600  0.50000000  0.77145600  1.0
  B  B8  1  0.11163700  0.27561100  0.38724800  1.0
  B  B9  1  0.88836300  0.72438900  0.61275200  1.0
  B  B10  1  0.88836300  0.27561100  0.16397500  1.0
  B  B11  1  0.11163700  0.72438900  0.83602500  1.0
  B  B12  1  0.72438900  0.88836300  0.61275200  1.0
  B  B13  1  0.27561100  0.11163700  0.38724800  1.0
  B  B14  1  0.72438900  0.11163700  0.83602500  1.0
  B  B15  1  0.27561100  0.88836300  0.16397500  1.0
  B  B16  1  0.41807300  0.41807300  0.53125400  1.0
  B  B17  1  0.88681900  0.88681900  0.46874600  1.0
  B  B18  1  0.58192700  0.11318100  0.00000000  1.0
  B  B19  1  0.11318100  0.58192700  0.00000000  1.0
  B  B20  1  0.58192700  0.58192700  0.46874600  1.0
  B  B21  1  0.11318100  0.11318100  0.53125400  1.0
  B  B22  1  0.88681900  0.41807300  0.00000000  1.0
  B  B23  1  0.41807300  0.88681900  0.00000000  1.0