data_[Tm2Zr6Te12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Tm  1.2500  1.7500  1.0950
  Zr  1.3300  1.5500  0.8600
  Te  2.1000  1.4000  1.2933
]
_symmetry_space_group_name_H-M [P2_1/m]
_cell_length_a [11.9218]
_cell_length_b [4.0171]
_cell_length_c [12.4749]
_cell_angle_alpha [90.0000]
_cell_angle_beta [109.2926]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [Tm(ZrTe2)3]
_chemical_formula_sum '[Tm2 Zr6 Te12]'
_cell_volume [563.8885]
_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  0.0522  0.2500  0.6978  1
  Zr  Zr1  2  0.1205  0.2500  0.0668  1
  Zr  Zr2  2  0.3188  0.7500  0.4869  1
  Zr  Zr3  2  0.4428  0.2500  0.8671  1
  Te  Te4  2  0.1046  0.7500  0.8956  1
  Te  Te5  2  0.1197  0.2500  0.4709  1
  Te  Te6  2  0.1869  0.7500  0.2465  1
  Te  Te7  2  0.2742  0.7500  0.7168  1
  Te  Te8  2  0.3750  0.2500  0.0725  1
  Te  Te9  2  0.4866  0.2500  0.6247  1
]