data_[Tm8Te4C2]
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
]
_symmetry_space_group_name_H-M [P2_1/m]
_cell_length_a [7.2332]
_cell_length_b [6.7205]
_cell_length_c [7.7943]
_cell_angle_alpha [90.0000]
_cell_angle_beta [105.5169]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [Tm4Te2C]
_chemical_formula_sum '[Tm8 Te4 C2]'
_cell_volume [365.0772]
_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  0.4988  0.5017  0.2509  1
  Tm  Tm1  2  0.1171  0.7500  0.3937  1
  Tm  Tm2  2  0.1195  0.7500  0.9139  1
  Te  Te3  2  0.2355  0.2500  0.4363  1
  Te  Te4  2  0.2391  0.2500  0.9326  1
  C  C5  2  0.2926  0.7500  0.1971  1
]