data_[Tm4Sn12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Tm  1.2500  1.7500  1.0950
  Sn  1.9600  1.4500  0.8300
]
_symmetry_space_group_name_H-M [Amm2]
_cell_length_a [4.4270]
_cell_length_b [4.4106]
_cell_length_c [22.0200]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [38]
_chemical_formula_structural [TmSn3]
_chemical_formula_sum '[Tm4 Sn12]'
_cell_volume [429.9639]
_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  2  0.0000  0.0000  0.2129  1.0
  Tm  Tm1  2  0.5000  0.0000  0.4821  1.0
  Sn  Sn2  2  0.0000  0.0000  0.3627  1.0
  Sn  Sn3  2  0.0000  0.0000  0.6003  1.0
  Sn  Sn4  2  0.0000  0.0000  0.9762  1.0
  Sn  Sn5  2  0.5000  0.0000  0.0989  1.0
  Sn  Sn6  2  0.5000  0.0000  0.7281  1.0
  Sn  Sn7  2  0.5000  0.0000  0.8647  1.0
]