data_[Y4Mg2Tl6Se12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Y  1.2200  1.8000  1.0400
  Mg  1.3100  1.5000  0.8600
  Tl  1.6200  1.9000  1.3325
  Se  2.5500  1.1500  1.0133
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [7.2257]
_cell_length_b [12.5212]
_cell_length_c [7.9004]
_cell_angle_alpha [90.0000]
_cell_angle_beta [107.7397]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Y2Mg(TlSe2)3]
_chemical_formula_sum '[Y4 Mg2 Tl6 Se12]'
_cell_volume [680.7967]
_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  0.0000  0.3338  0.0000  1.0
  Mg  Mg1  2  0.0000  0.0000  0.0000  1.0
  Tl  Tl2  4  0.0000  0.1691  0.5000  1.0
  Tl  Tl3  2  0.0000  0.5000  0.5000  1.0
  Se  Se4  8  0.2312  0.1631  0.2052  1.0
  Se  Se5  4  0.2429  0.5000  0.2067  1.0
]