data_[Mn4Tl10Se10]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  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 [C2/m]
_cell_length_a [14.8546]
_cell_length_b [4.2802]
_cell_length_c [11.9128]
_cell_angle_alpha [90.0000]
_cell_angle_beta [106.7707]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Mn2(TlSe)5]
_chemical_formula_sum '[Mn4 Tl10 Se10]'
_cell_volume [725.2103]
_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
[
  Mn  Mn0  4  0.0269  0.0000  0.7964  1.0
  Tl  Tl1  4  0.1588  0.5000  0.0610  1.0
  Tl  Tl2  4  0.2409  0.0000  0.6419  1.0
  Tl  Tl3  2  0.0000  0.5000  0.5000  1.0
  Se  Se4  4  0.1125  0.0000  0.3726  1.0
  Se  Se5  4  0.1184  0.5000  0.7933  1.0
  Se  Se6  2  0.0000  0.0000  0.0000  1.0
]