data_[Tm4Th4Te14]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Tm  1.2500  1.7500  1.0950
  Th  1.3000  1.8000  1.0800
  Te  2.1000  1.4000  1.2933
]
_symmetry_space_group_name_H-M [Imm2]
_cell_length_a [4.4046]
_cell_length_b [15.7777]
_cell_length_c [9.8242]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [44]
_chemical_formula_structural [Tm2Th2Te7]
_chemical_formula_sum '[Tm4 Th4 Te14]'
_cell_volume [682.7252]
_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  0.0000  0.0000  0.2182  1
  Tm  Tm1  2  0.0000  0.5000  0.1772  1
  Th  Th2  4  0.0000  0.2648  0.4095  1
  Te  Te3  4  0.0000  0.1395  0.7077  1
  Te  Te4  4  0.0000  0.1796  0.1145  1
  Te  Te5  4  0.0000  0.3914  0.8994  1
  Te  Te6  2  0.0000  0.5000  0.4886  1
]