data_[Cs6Er4Sn2Te12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Cs  0.7900  2.6000  1.8100
  Er  1.2400  1.7500  1.0300
  Sn  1.9600  1.4500  0.8300
  Te  2.1000  1.4000  1.2933
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [7.8957]
_cell_length_b [13.6856]
_cell_length_c [9.2882]
_cell_angle_alpha [90.0000]
_cell_angle_beta [106.4425]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Cs3Er2SnTe6]
_chemical_formula_sum '[Cs6 Er4 Sn2 Te12]'
_cell_volume [962.6168]
_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
[
  Cs  Cs0  4  0.0000  0.1660  0.5000  1.0
  Cs  Cs1  2  0.0000  0.5000  0.5000  1.0
  Er  Er2  4  0.0000  0.3332  0.0000  1.0
  Sn  Sn3  2  0.0000  0.0000  0.0000  1.0
  Te  Te4  8  0.2305  0.8318  0.1870  1.0
  Te  Te5  4  0.2258  0.5000  0.1868  1.0
]