data_[Er4In4Sn8Se20]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Er  1.2400  1.7500  1.0300
  In  1.7800  1.5500  0.9400
  Sn  1.9600  1.4500  0.8300
  Se  2.5500  1.1500  1.0133
]
_symmetry_space_group_name_H-M [Cmc2_1]
_cell_length_a [4.0896]
_cell_length_b [18.9711]
_cell_length_c [13.5594]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [36]
_chemical_formula_structural [ErInSn2Se5]
_chemical_formula_sum '[Er4 In4 Sn8 Se20]'
_cell_volume [1051.9890]
_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  0.1952  0.0208  1.0
  In  In1  4  0.0000  0.4532  0.4300  1.0
  Sn  Sn2  4  0.0000  0.1312  0.3228  1.0
  Sn  Sn3  4  0.0000  0.1504  0.6613  1.0
  Se  Se4  4  0.0000  0.0407  0.0511  1.0
  Se  Se5  4  0.0000  0.2971  0.6705  1.0
  Se  Se6  4  0.0000  0.3176  0.3752  1.0
  Se  Se7  4  0.0000  0.3443  0.0174  1.0
  Se  Se8  4  0.0000  0.4688  0.7748  1.0
]