data_[Na1Tm1Sn2S4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Na  0.9300  1.8000  1.1600
  Tm  1.2500  1.7500  1.0950
  Sn  1.9600  1.4500  0.8300
  S  2.5800  1.0000  0.8800
]
_symmetry_space_group_name_H-M [P2/m]
_cell_length_a [6.9690]
_cell_length_b [4.0324]
_cell_length_c [7.0833]
_cell_angle_alpha [90.0000]
_cell_angle_beta [108.2660]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [10]
_chemical_formula_structural [NaTm(SnS2)2]
_chemical_formula_sum '[Na1 Tm1 Sn2 S4]'
_cell_volume [189.0234]
_cell_formula_units_Z [1]
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
[
  Na  Na0  1  0.5000  0.5000  0.0000  1
  Tm  Tm1  1  0.0000  0.0000  0.0000  1
  Sn  Sn2  1  0.0000  0.5000  0.5000  1
  Sn  Sn3  1  0.5000  0.0000  0.5000  1
  S  S4  2  0.2316  0.5000  0.2286  1
  S  S5  2  0.2377  0.0000  0.7611  1
]