data_[Tm4Ti4Sb12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Tm  1.2500  1.7500  1.0950
  Ti  1.5400  1.4000  0.8517
  Sb  2.0500  1.4500  0.8300
]
_symmetry_space_group_name_H-M [Pbcm]
_cell_length_a [12.7869]
_cell_length_b [6.2849]
_cell_length_c [6.1283]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [57]
_chemical_formula_structural [TmTiSb3]
_chemical_formula_sum '[Tm4 Ti4 Sb12]'
_cell_volume [492.4976]
_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  0.3169  0.0101  0.2500  1
  Ti  Ti1  4  0.0955  0.7500  0.0000  1
  Sb  Sb2  4  0.0745  0.1130  0.2500  1
  Sb  Sb3  4  0.2355  0.5006  0.2500  1
  Sb  Sb4  4  0.4968  0.7500  0.0000  1
]