data_[Tm16Sn4Se4]
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
  Se  2.5500  1.1500  1.0133
]
_symmetry_space_group_name_H-M [Cmcm]
_cell_length_a [5.3478]
_cell_length_b [20.1902]
_cell_length_c [6.1652]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [63]
_chemical_formula_structural [Tm4SnSe]
_chemical_formula_sum '[Tm16 Sn4 Se4]'
_cell_volume [665.6730]
_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  0.0000  0.2906  0.0044  1
  Tm  Tm1  4  0.0000  0.1241  0.2500  1
  Tm  Tm2  4  0.0000  0.4395  0.2500  1
  Sn  Sn3  4  0.0000  0.1460  0.7500  1
  Se  Se4  4  0.0000  0.4230  0.7500  1
]