data_[Y12Sn2Te6As4]
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
  As  2.1800  1.1500  0.6600
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [18.7934]
_cell_length_b [4.2596]
_cell_length_c [8.7075]
_cell_angle_alpha [90.0000]
_cell_angle_beta [104.1581]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Y6SnTe3As2]
_chemical_formula_sum '[Y12 Sn2 Te6 As4]'
_cell_volume [675.8788]
_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
[
  Y  Y0  4  0.0082  0.0000  0.2470  1.0
  Y  Y1  4  0.1654  0.5000  0.1069  1.0
  Y  Y2  4  0.1745  0.5000  0.5674  1.0
  Sn  Sn3  2  0.0000  0.5000  0.0000  1.0
  Te  Te4  4  0.1652  0.0000  0.8326  1.0
  Te  Te5  2  0.0000  0.5000  0.5000  1.0
  As  As6  4  0.1680  0.0000  0.3367  1.0
]