# generated using pymatgen
data_ErNiB4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.76589031
_cell_length_b   6.76589031
_cell_length_c   6.76589031
_cell_angle_alpha   113.02852780
_cell_angle_beta   113.02852780
_cell_angle_gamma   102.56935257
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ErNiB4
_chemical_formula_sum   'Er4 Ni4 B16'
_cell_volume   235.87428497
_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
  Er  Er0  1  0.25000000  0.75000000  0.50000000  1.0
  Er  Er1  1  0.75000000  0.25000000  0.50000000  1.0
  Er  Er2  1  0.79562739  0.79562739  0.00000000  1.0
  Er  Er3  1  0.20437261  0.20437261  0.00000000  1.0
  Ni  Ni4  1  0.50000000  0.72792847  0.22792847  1.0
  Ni  Ni5  1  0.72792847  0.50000000  0.22792847  1.0
  Ni  Ni6  1  0.27207153  0.50000000  0.77207153  1.0
  Ni  Ni7  1  0.50000000  0.27207153  0.77207153  1.0
  B  B8  1  0.11433271  0.11433271  0.53431272  1.0
  B  B9  1  0.58001999  0.58001999  0.46568728  1.0
  B  B10  1  0.88566729  0.88566729  0.46568728  1.0
  B  B11  1  0.58001999  0.11433271  -0.00000000  1.0
  B  B12  1  0.11433271  0.58001999  0.00000000  1.0
  B  B13  1  0.88566729  0.41998001  -0.00000000  1.0
  B  B14  1  0.41998001  0.88566729  0.00000000  1.0
  B  B15  1  0.41998001  0.41998001  0.53431272  1.0
  B  B16  1  0.11156881  0.27607346  0.38764227  1.0
  B  B17  1  0.27607346  0.88843119  0.16450464  1.0
  B  B18  1  0.72392654  0.11156881  0.83549536  1.0
  B  B19  1  0.11156881  0.72392654  0.83549536  1.0
  B  B20  1  0.88843119  0.27607346  0.16450464  1.0
  B  B21  1  0.88843119  0.72392654  0.61235773  1.0
  B  B22  1  0.72392654  0.88843119  0.61235773  1.0
  B  B23  1  0.27607346  0.11156881  0.38764227  1.0