data_[Er3Si2Ni9Sb1]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Er  1.2400  1.7500  1.0300
  Si  1.9000  1.1000  0.5400
  Ni  1.9100  1.3500  0.7400
  Sb  2.0500  1.4500  0.8300
]
_symmetry_space_group_name_H-M [P-3m1]
_cell_length_a [5.8447]
_cell_length_b [5.8447]
_cell_length_c [8.7977]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [164]
_chemical_formula_structural [Er3Si2Ni9Sb]
_chemical_formula_sum '[Er3 Si2 Ni9 Sb1]'
_cell_volume [260.2703]
_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  2  0.3333  0.6667  0.7205  1
  Er  Er1  1  0.0000  0.0000  0.0000  1
  Si  Si2  2  0.3333  0.6667  0.1682  1
  Ni  Ni3  6  0.1406  0.2813  0.2681  1
  Ni  Ni4  3  0.0000  0.5000  0.0000  1
  Sb  Sb5  1  0.0000  0.0000  0.5000  1
]