data_[Y12Te4As4Se4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Y  1.2200  1.8000  1.0400
  Te  2.1000  1.4000  1.2933
  As  2.1800  1.1500  0.6600
  Se  2.5500  1.1500  1.0133
]
_symmetry_space_group_name_H-M [C2/c]
_cell_length_a [6.9862]
_cell_length_b [14.6651]
_cell_length_c [6.9392]
_cell_angle_alpha [90.0000]
_cell_angle_beta [108.0225]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [Y3TeAsSe]
_chemical_formula_sum '[Y12 Te4 As4 Se4]'
_cell_volume [676.0616]
_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  8  0.2417  0.0721  0.9982  1
  Y  Y1  4  0.0000  0.2493  0.2500  1
  Te  Te2  4  0.0000  0.2511  0.7500  1
  As  As3  4  0.0000  0.0630  0.2500  1
  Se  Se4  4  0.0000  0.4400  0.2500  1
]