data_[Yb4Mn4Tl4Se12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Yb  1.1000  1.7500  1.0840
  Mn  1.5500  1.4000  0.6483
  Tl  1.6200  1.9000  1.3325
  Se  2.5500  1.1500  1.0133
]
_symmetry_space_group_name_H-M [Cmcm]
_cell_length_a [4.1411]
_cell_length_b [14.9087]
_cell_length_c [11.3150]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [63]
_chemical_formula_structural [YbMnTlSe3]
_chemical_formula_sum '[Yb4 Mn4 Tl4 Se12]'
_cell_volume [698.5735]
_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
[
  Yb  Yb0  4  0.0000  0.0000  0.0000  1.0
  Mn  Mn1  4  0.0000  0.4702  0.7500  1.0
  Tl  Tl2  4  0.0000  0.2440  0.2500  1.0
  Se  Se3  8  0.0000  0.3739  0.5807  1.0
  Se  Se4  4  0.0000  0.0630  0.7500  1.0
]