data_[Mn4Tl8Se8]
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 [P2_1/c]
_cell_length_a [8.7167]
_cell_length_b [8.5024]
_cell_length_c [8.0763]
_cell_angle_alpha [90.0000]
_cell_angle_beta [103.6493]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [14]
_chemical_formula_structural [Mn(TlSe)2]
_chemical_formula_sum '[Mn4 Tl8 Se8]'
_cell_volume [581.6585]
_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
[
  Mn  Mn0  4  0.4021  0.1211  0.8351  1.0
  Tl  Tl1  4  0.1599  0.6651  0.5074  1.0
  Tl  Tl2  4  0.2294  0.0577  0.4199  1.0
  Se  Se3  4  0.1028  0.1234  0.7547  1.0
  Se  Se4  4  0.4891  0.6707  0.3424  1.0
]