data_[Tm4Cr8S2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Tm  1.2500  1.7500  1.0950
  Cr  1.6600  1.4000  0.9400
  S  2.5800  1.0000  0.8800
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [8.3185]
_cell_length_b [8.2920]
_cell_length_c [3.9226]
_cell_angle_alpha [90.0000]
_cell_angle_beta [106.2730]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Tm2Cr4S]
_chemical_formula_sum '[Tm4 Cr8 S2]'
_cell_volume [259.7294]
_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  0.1849  0.5000  0.9355  1
  Cr  Cr1  8  0.0645  0.2273  0.3776  1
  S  S2  2  0.0000  0.0000  0.0000  1
]