data_[Y12Ge4As6Se2]
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
  As  2.1800  1.1500  0.6600
  Se  2.5500  1.1500  1.0133
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [18.0698]
_cell_length_b [4.0803]
_cell_length_c [8.3522]
_cell_angle_alpha [90.0000]
_cell_angle_beta [103.3937]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Y6Ge2As3Se]
_chemical_formula_sum '[Y12 Ge4 As6 Se2]'
_cell_volume [599.0585]
_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  0.0010  0.0000  0.2570  1
  Y  Y1  4  0.1663  0.5000  0.5865  1
  Y  Y2  4  0.1682  0.5000  0.0825  1
  Ge  Ge3  4  0.1662  0.0000  0.3324  1
  As  As4  4  0.1643  0.0000  0.8345  1
  As  As5  2  0.0000  0.5000  0.5000  1
  Se  Se6  2  0.0000  0.5000  0.0000  1
]