data_[Tm6Te2H2C2]
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
  H  2.2000  0.2500  0.0000
  C  2.5500  0.7000  0.3000
]
_symmetry_space_group_name_H-M [P2_1/m]
_cell_length_a [7.9939]
_cell_length_b [3.7390]
_cell_length_c [8.2239]
_cell_angle_alpha [90.0000]
_cell_angle_beta [104.6895]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [Tm3TeHC]
_chemical_formula_sum '[Tm6 Te2 H2 C2]'
_cell_volume [237.7714]
_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  2  0.1393  0.2500  0.8606  1.0
  Tm  Tm1  2  0.2216  0.7500  0.5471  1.0
  Tm  Tm2  2  0.4600  0.7500  0.1536  1.0
  Te  Te3  2  0.1807  0.2500  0.2362  1.0
  H  H4  2  0.0785  0.2500  0.5848  1.0
  C  C5  2  0.3338  0.7500  0.8457  1.0
]