data_[Y2Mn2Tl2Se6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Y  1.2200  1.8000  1.0400
  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 [P2_1/m]
_cell_length_a [9.0592]
_cell_length_b [4.2105]
_cell_length_c [9.7867]
_cell_angle_alpha [90.0000]
_cell_angle_beta [106.5560]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [YMnTlSe3]
_chemical_formula_sum '[Y2 Mn2 Tl2 Se6]'
_cell_volume [357.8253]
_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  2  0.3320  0.7500  0.8594  1.0
  Mn  Mn1  2  0.0827  0.2500  0.6106  1.0
  Tl  Tl2  2  0.2071  0.2500  0.2223  1.0
  Se  Se3  2  0.1139  0.2500  0.8700  1.0
  Se  Se4  2  0.2066  0.7500  0.5397  1.0
  Se  Se5  2  0.4586  0.7500  0.1606  1.0
]