data_[Tm12Be4Se24]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Tm  1.2500  1.7500  1.0950
  Be  1.5700  1.0500  0.5900
  Se  2.5500  1.1500  1.0133
]
_symmetry_space_group_name_H-M [Cmc2_1]
_cell_length_a [11.2992]
_cell_length_b [14.0033]
_cell_length_c [6.2377]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [36]
_chemical_formula_structural [Tm3BeSe6]
_chemical_formula_sum '[Tm12 Be4 Se24]'
_cell_volume [986.9747]
_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  0.1714  0.1076  0.5246  1
  Tm  Tm1  4  0.0000  0.3752  0.6001  1
  Be  Be2  4  0.0000  0.1983  0.9628  1
  Se  Se3  8  0.1597  0.4851  0.3048  1
  Se  Se4  8  0.1640  0.2612  0.8180  1
  Se  Se5  4  0.0000  0.0468  0.8423  1
  Se  Se6  4  0.0000  0.2177  0.3147  1
]