data_[Er2Zn8Sn12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Er  1.2400  1.7500  1.0300
  Zn  1.6500  1.3500  0.8800
  Sn  1.9600  1.4500  0.8300
]
_symmetry_space_group_name_H-M [Cm]
_cell_length_a [8.4840]
_cell_length_b [10.2950]
_cell_length_c [6.9903]
_cell_angle_alpha [90.0000]
_cell_angle_beta [117.0726]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [8]
_chemical_formula_structural [Er(Zn2Sn3)2]
_chemical_formula_sum '[Er2 Zn8 Sn12]'
_cell_volume [543.6508]
_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  0.4755  0.5000  0.8768  1
  Zn  Zn1  4  0.3945  0.2224  0.7495  1
  Zn  Zn2  2  0.3231  0.5000  0.2009  1
  Zn  Zn3  2  0.3295  0.0000  0.2702  1
  Sn  Sn4  4  0.1588  0.3457  0.3924  1
  Sn  Sn5  4  0.2690  0.2379  0.0431  1
  Sn  Sn6  2  0.0620  0.5000  0.7344  1
  Sn  Sn7  2  0.1613  0.0000  0.5457  1
]