data_[Tm4Te2C1S1]
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
  C  2.5500  0.7000  0.3000
  S  2.5800  1.0000  0.8800
]
_symmetry_space_group_name_H-M [P2/m]
_cell_length_a [6.8135]
_cell_length_b [3.8840]
_cell_length_c [7.2296]
_cell_angle_alpha [90.0000]
_cell_angle_beta [108.0742]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [10]
_chemical_formula_structural [Tm4Te2CS]
_chemical_formula_sum '[Tm4 Te2 C1 S1]'
_cell_volume [181.8772]
_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  0.2601  0.0000  0.6958  1
  Tm  Tm1  2  0.2922  0.5000  0.3082  1
  Te  Te2  1  0.0000  0.0000  0.0000  1
  Te  Te3  1  0.5000  0.5000  0.0000  1
  C  C4  1  0.5000  0.0000  0.5000  1
  S  S5  1  0.0000  0.5000  0.5000  1
]