data_[Na4Sr4Tm4S12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Na  0.9300  1.8000  1.1600
  Sr  0.9500  2.0000  1.3200
  Tm  1.2500  1.7500  1.0950
  S  2.5800  1.0000  0.8800
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [16.9513]
_cell_length_b [3.9702]
_cell_length_c [8.6589]
_cell_angle_alpha [90.0000]
_cell_angle_beta [104.8259]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [NaSrTmS3]
_chemical_formula_sum '[Na4 Sr4 Tm4 S12]'
_cell_volume [563.3468]
_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
[
  Na  Na0  4  0.0036  0.5000  0.2034  1
  Sr  Sr1  4  0.1360  0.0000  0.5671  1
  Tm  Tm2  4  0.1660  0.0000  0.0859  1
  S  S3  4  0.1701  0.5000  0.8661  1
  S  S4  4  0.1781  0.5000  0.3071  1
  S  S5  2  0.0000  0.0000  0.0000  1
  S  S6  2  0.0000  0.5000  0.5000  1
]