data_[Tm8P2S4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Tm  1.2500  1.7500  1.0950
  P  2.1900  1.0000  0.5500
  S  2.5800  1.0000  0.8800
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [14.3888]
_cell_length_b [3.8155]
_cell_length_c [6.4975]
_cell_angle_alpha [90.0000]
_cell_angle_beta [116.3467]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Tm4PS2]
_chemical_formula_sum '[Tm8 P2 S4]'
_cell_volume [319.6663]
_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  0.1209  0.0000  0.4551  1
  Tm  Tm1  4  0.1235  0.5000  0.9606  1
  P  P2  2  0.0000  0.0000  0.0000  1
  S  S3  4  0.2433  0.5000  0.7386  1
]