data_[Tm2Cu4Te6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Tm  1.2500  1.7500  1.0950
  Cu  1.9000  1.3500  0.8200
  Te  2.1000  1.4000  1.2933
]
_symmetry_space_group_name_H-M [P2_1/m]
_cell_length_a [7.6446]
_cell_length_b [4.1077]
_cell_length_c [11.0803]
_cell_angle_alpha [90.0000]
_cell_angle_beta [104.8035]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [TmCu2Te3]
_chemical_formula_sum '[Tm2 Cu4 Te6]'
_cell_volume [336.3959]
_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  0.2216  0.2500  0.6974  1.0
  Cu  Cu1  2  0.0455  0.2500  0.4205  1.0
  Cu  Cu2  2  0.4222  0.7500  0.9158  1.0
  Te  Te3  2  0.0582  0.7500  0.8272  1.0
  Te  Te4  2  0.2592  0.7500  0.4916  1.0
  Te  Te5  2  0.4023  0.7500  0.1485  1.0
]