data_[Tm16Sn4As2]
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
  As  2.1800  1.1500  0.6600
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [17.8650]
_cell_length_b [4.9844]
_cell_length_c [6.7034]
_cell_angle_alpha [90.0000]
_cell_angle_beta [93.5570]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Tm8Sn2As]
_chemical_formula_sum '[Tm16 Sn4 As2]'
_cell_volume [595.7692]
_cell_formula_units_Z [2]
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  0.0261  0.0000  0.7613  1
  Tm  Tm1  4  0.0927  0.5000  0.4242  1
  Tm  Tm2  4  0.1539  0.5000  0.9216  1
  Tm  Tm3  4  0.2162  0.0000  0.6438  1
  Sn  Sn4  4  0.1711  0.0000  0.1837  1
  As  As5  2  0.0000  0.5000  0.0000  1
]