data_[Na2Tm2Si2S8]
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
  Si  1.9000  1.1000  0.5400
  S  2.5800  1.0000  0.8800
]
_symmetry_space_group_name_H-M [P2_1/m]
_cell_length_a [6.3390]
_cell_length_b [6.5878]
_cell_length_c [7.9270]
_cell_angle_alpha [90.0000]
_cell_angle_beta [105.8502]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [NaTmSiS4]
_chemical_formula_sum '[Na2 Tm2 Si2 S8]'
_cell_volume [318.4463]
_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
[
  Na  Na0  2  0.2514  0.2500  0.0624  1.0
  Tm  Tm1  2  0.2223  0.2500  0.5530  1.0
  Si  Si2  2  0.2398  0.7500  0.3192  1.0
  S  S3  4  0.0121  0.5015  0.2747  1.0
  S  S4  2  0.4286  0.7500  0.5848  1.0
  S  S5  2  0.4435  0.7500  0.1507  1.0
]