data_[Gd1Tm3C2S2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Gd  1.2000  1.8000  1.0750
  Tm  1.2500  1.7500  1.0950
  C  2.5500  0.7000  0.3000
  S  2.5800  1.0000  0.8800
]
_symmetry_space_group_name_H-M [P3m1]
_cell_length_a [3.6697]
_cell_length_b [3.6697]
_cell_length_c [12.7770]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [156]
_chemical_formula_structural [GdTm3(CS)2]
_chemical_formula_sum '[Gd1 Tm3 C2 S2]'
_cell_volume [149.0096]
_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
[
  Gd  Gd0  1  0.0000  0.0000  0.1036  1
  Tm  Tm1  1  0.0000  0.0000  0.3986  1
  Tm  Tm2  1  0.6667  0.3333  0.6029  1
  Tm  Tm3  1  0.6667  0.3333  0.8929  1
  C  C4  1  0.3333  0.6667  0.5016  1
  C  C5  1  0.3333  0.6667  0.9959  1
  S  S6  1  0.0000  0.0000  0.7490  1
  S  S7  1  0.6667  0.3333  0.2556  1
]