data_[Er2Ni8Sn12]
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 [I-42m]
_cell_length_a [6.8102]
_cell_length_b [6.8102]
_cell_length_c [9.4772]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [121]
_chemical_formula_structural [Er(Ni2Sn3)2]
_chemical_formula_sum '[Er2 Ni8 Sn12]'
_cell_volume [439.5376]
_cell_formula_units_Z [2]
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  0.0000  0.0000  0.5000  1.0
  Ni  Ni1  8  0.1773  0.1773  0.0688  1.0
  Sn  Sn2  8  0.1724  0.1724  0.7886  1.0
  Sn  Sn3  4  0.0000  0.5000  0.0000  1.0
]