data_[Y12Te6P4Se2]
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
  P  2.1900  1.0000  0.5500
  Se  2.5500  1.1500  1.0133
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [18.5467]
_cell_length_b [4.1498]
_cell_length_c [8.5155]
_cell_angle_alpha [90.0000]
_cell_angle_beta [105.5652]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Y6Te3P2Se]
_chemical_formula_sum '[Y12 Te6 P4 Se2]'
_cell_volume [631.3659]
_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  0.0148  0.0000  0.2428  1.0
  Y  Y1  4  0.1661  0.5000  0.1172  1.0
  Y  Y2  4  0.1767  0.5000  0.5609  1.0
  Te  Te3  4  0.1626  0.0000  0.8338  1.0
  Te  Te4  2  0.0000  0.5000  0.5000  1.0
  P  P5  4  0.1675  0.0000  0.3344  1.0
  Se  Se6  2  0.0000  0.5000  0.0000  1.0
]