data_[Tm2Mg2Cu2Te6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Tm  1.2500  1.7500  1.0950
  Mg  1.3100  1.5000  0.8600
  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 [8.1961]
_cell_length_b [4.0969]
_cell_length_c [9.8247]
_cell_angle_alpha [90.0000]
_cell_angle_beta [101.7538]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [TmMgCuTe3]
_chemical_formula_sum '[Tm2 Mg2 Cu2 Te6]'
_cell_volume [322.9812]
_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  0.3187  0.7500  0.8244  1
  Mg  Mg1  2  0.1999  0.2500  0.2840  1
  Cu  Cu2  2  0.0745  0.2500  0.5772  1
  Te  Te3  2  0.0582  0.2500  0.8457  1
  Te  Te4  2  0.2639  0.7500  0.5132  1
  Te  Te5  2  0.4032  0.7500  0.1498  1
]