data_[Er36Ni3Bi18]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Er  1.2400  1.7500  1.0300
  Ni  1.9100  1.3500  0.7400
  Bi  2.0200  1.6000  1.0350
]
_symmetry_space_group_name_H-M [R-3]
_cell_length_a [13.1333]
_cell_length_b [13.1333]
_cell_length_c [12.0293]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [148]
_chemical_formula_structural [Er12NiBi6]
_chemical_formula_sum '[Er36 Ni3 Bi18]'
_cell_volume [1796.8814]
_cell_formula_units_Z [3]
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  18  0.0264  0.1798  0.3833  1
  Er  Er1  18  0.0629  0.1857  0.8802  1
  Ni  Ni2  3  0.0000  0.0000  0.0000  1
  Bi  Bi3  18  0.0425  0.2886  0.6387  1
]