data_[Tm12Ge4Se24]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Tm  1.2500  1.7500  1.0950
  Ge  2.0100  1.2500  0.7700
  Se  2.5500  1.1500  1.0133
]
_symmetry_space_group_name_H-M [Cmc2_1]
_cell_length_a [11.0653]
_cell_length_b [13.8028]
_cell_length_c [6.8168]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [36]
_chemical_formula_structural [Tm3GeSe6]
_chemical_formula_sum '[Tm12 Ge4 Se24]'
_cell_volume [1041.1419]
_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  8  0.1848  0.0980  0.4809  1
  Tm  Tm1  4  0.0000  0.4044  0.3882  1
  Ge  Ge2  4  0.0000  0.2015  0.0222  1
  Se  Se3  8  0.1626  0.4666  0.6827  1
  Se  Se4  8  0.1732  0.2703  0.2139  1
  Se  Se5  4  0.0000  0.0337  0.1821  1
  Se  Se6  4  0.0000  0.2192  0.6380  1
]