data_[Y12Ge4Te2As6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Y  1.2200  1.8000  1.0400
  Ge  2.0100  1.2500  0.7700
  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 [18.3141]
_cell_length_b [4.0978]
_cell_length_c [8.5089]
_cell_angle_alpha [90.0000]
_cell_angle_beta [103.8690]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Y6Ge2TeAs3]
_chemical_formula_sum '[Y12 Ge4 Te2 As6]'
_cell_volume [619.9589]
_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  0.0015  0.0000  0.2686  1.0
  Y  Y1  4  0.1669  0.5000  0.5874  1.0
  Y  Y2  4  0.1731  0.5000  0.0851  1.0
  Ge  Ge3  4  0.1667  0.0000  0.3335  1.0
  Te  Te4  2  0.0000  0.5000  0.0000  1.0
  As  As5  4  0.1635  0.0000  0.8338  1.0
  As  As6  2  0.0000  0.5000  0.5000  1.0
]