data_[Tm4Te1Pt1S2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Tm  1.2500  1.7500  1.0950
  Te  2.1000  1.4000  1.2933
  Pt  2.2800  1.3500  0.8050
  S  2.5800  1.0000  0.8800
]
_symmetry_space_group_name_H-M [P2/m]
_cell_length_a [6.9839]
_cell_length_b [3.9106]
_cell_length_c [7.1554]
_cell_angle_alpha [90.0000]
_cell_angle_beta [108.1355]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [10]
_chemical_formula_structural [Tm4TePtS2]
_chemical_formula_sum '[Tm4 Te1 Pt1 S2]'
_cell_volume [185.7153]
_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
[
  Tm  Tm0  2  0.2213  0.0000  0.7251  1
  Tm  Tm1  2  0.2310  0.5000  0.2541  1
  Te  Te2  1  0.5000  0.5000  0.0000  1
  Pt  Pt3  1  0.0000  0.0000  0.0000  1
  S  S4  1  0.0000  0.5000  0.5000  1
  S  S5  1  0.5000  0.0000  0.5000  1
]