data_[Tm4Mn4Sn4Se12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Tm  1.2500  1.7500  1.0950
  Mn  1.5500  1.4000  0.6483
  Sn  1.9600  1.4500  0.8300
  Se  2.5500  1.1500  1.0133
]
_symmetry_space_group_name_H-M [Pnma]
_cell_length_a [10.8170]
_cell_length_b [3.9731]
_cell_length_c [13.9412]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [62]
_chemical_formula_structural [TmMnSnSe3]
_chemical_formula_sum '[Tm4 Mn4 Sn4 Se12]'
_cell_volume [599.1551]
_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
[
  Tm  Tm0  4  0.0187  0.2500  0.7443  1
  Mn  Mn1  4  0.2320  0.2500  0.2056  1
  Sn  Sn2  4  0.2294  0.7500  0.0402  1
  Se  Se3  4  0.0309  0.2500  0.1155  1
  Se  Se4  4  0.0738  0.7500  0.6047  1
  Se  Se5  4  0.2338  0.7500  0.3202  1
]