# generated using pymatgen
data_Er(Ni2B)6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.94890006
_cell_length_b   5.94890049
_cell_length_c   5.94889966
_cell_angle_alpha   104.40842731
_cell_angle_beta   104.40842769
_cell_angle_gamma   104.40844157
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Er(Ni2B)6
_chemical_formula_sum   'Er1 Ni12 B6'
_cell_volume   186.34209298
_cell_formula_units_Z   1
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  0.00000000  0.00000000  0.00000000  1.0
  Ni  Ni1  1  0.13008235  0.86991765  0.50000000  1.0
  Ni  Ni2  1  0.50000000  0.13008235  0.86991765  1.0
  Ni  Ni3  1  0.86991765  0.50000000  0.13008235  1.0
  Ni  Ni4  1  0.50000000  0.86991765  0.13008235  1.0
  Ni  Ni5  1  0.13008235  0.50000000  0.86991765  1.0
  Ni  Ni6  1  0.86991765  0.13008235  0.50000000  1.0
  Ni  Ni7  1  0.54739222  0.81363109  0.54739222  1.0
  Ni  Ni8  1  0.54739222  0.54739222  0.81363109  1.0
  Ni  Ni9  1  0.81363109  0.54739222  0.54739222  1.0
  Ni  Ni10  1  0.45260778  0.18636891  0.45260778  1.0
  Ni  Ni11  1  0.45260778  0.45260778  0.18636891  1.0
  Ni  Ni12  1  0.18636891  0.45260778  0.45260778  1.0
  B  B13  1  0.76421177  0.32684613  0.76421177  1.0
  B  B14  1  0.76421177  0.76421177  0.32684613  1.0
  B  B15  1  0.32684613  0.76421177  0.76421177  1.0
  B  B16  1  0.23578823  0.67315387  0.23578823  1.0
  B  B17  1  0.23578823  0.23578823  0.67315387  1.0
  B  B18  1  0.67315387  0.23578823  0.23578823  1.0