data_[Y1Tl2Te1Se4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Y  1.2200  1.8000  1.0400
  Tl  1.6200  1.9000  1.3325
  Te  2.1000  1.4000  1.2933
  Se  2.5500  1.1500  1.0133
]
_symmetry_space_group_name_H-M [P2/m]
_cell_length_a [7.6012]
_cell_length_b [4.1657]
_cell_length_c [7.9695]
_cell_angle_alpha [90.0000]
_cell_angle_beta [108.8291]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [10]
_chemical_formula_structural [YTl2TeSe4]
_chemical_formula_sum '[Y1 Tl2 Te1 Se4]'
_cell_volume [238.8453]
_cell_formula_units_Z [1]
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  1  0.5000  0.0000  0.5000  1.0
  Tl  Tl1  1  0.0000  0.0000  0.0000  1.0
  Tl  Tl2  1  0.5000  0.5000  0.0000  1.0
  Te  Te3  1  0.0000  0.5000  0.5000  1.0
  Se  Se4  2  0.2325  0.0000  0.6978  1.0
  Se  Se5  2  0.2894  0.5000  0.2735  1.0
]