data_[Y4Sn4Te12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Y  1.2200  1.8000  1.0400
  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 [18.7482]
_cell_length_b [4.5853]
_cell_length_c [8.2204]
_cell_angle_alpha [90.0000]
_cell_angle_beta [104.5196]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [YSnTe3]
_chemical_formula_sum '[Y4 Sn4 Te12]'
_cell_volume [684.1050]
_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
[
  Y  Y0  4  0.2194  0.0000  0.2484  1.0
  Sn  Sn1  4  0.0466  0.5000  0.6976  1.0
  Te  Te2  4  0.0368  0.0000  0.1752  1.0
  Te  Te3  4  0.1681  0.5000  0.9931  1.0
  Te  Te4  4  0.1694  0.0000  0.5798  1.0
]