data_[Er8Ni12Sn20]
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
  Sn  1.9600  1.4500  0.8300
]
_symmetry_space_group_name_H-M [Cmc2_1]
_cell_length_a [4.3179]
_cell_length_b [26.1118]
_cell_length_c [7.1820]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [36]
_chemical_formula_structural [Er2Ni3Sn5]
_chemical_formula_sum '[Er8 Ni12 Sn20]'
_cell_volume [809.7592]
_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  4  0.0000  0.1715  0.2374  1
  Er  Er1  4  0.0000  0.4741  0.2535  1
  Ni  Ni2  4  0.0000  0.0484  0.4763  1
  Ni  Ni3  4  0.0000  0.2225  0.7185  1
  Ni  Ni4  4  0.0000  0.3945  0.5095  1
  Sn  Sn5  4  0.0000  0.0477  0.0899  1
  Sn  Sn6  4  0.0000  0.1202  0.7498  1
  Sn  Sn7  4  0.0000  0.2873  0.0133  1
  Sn  Sn8  4  0.0000  0.2974  0.4389  1
  Sn  Sn9  4  0.0000  0.4068  0.8776  1
]