data_[Tm4Be4B8]
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
  B  2.0400  0.8500  0.4100
]
_symmetry_space_group_name_H-M [Pnma]
_cell_length_a [5.7128]
_cell_length_b [3.4116]
_cell_length_c [8.9674]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [62]
_chemical_formula_structural [TmBeB2]
_chemical_formula_sum '[Tm4 Be4 B8]'
_cell_volume [174.7743]
_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  0.1275  0.2500  0.8650  1.0
  Be  Be1  4  0.1210  0.2500  0.5638  1.0
  B  B2  4  0.0242  0.2500  0.3323  1.0
  B  B3  4  0.2205  0.2500  0.1690  1.0
]