data_[Tm12Fe4Te4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Tm  1.2500  1.7500  1.0950
  Fe  1.8300  1.4000  0.8525
  Te  2.1000  1.4000  1.2933
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [11.7556]
_cell_length_b [4.0194]
_cell_length_c [10.8337]
_cell_angle_alpha [90.0000]
_cell_angle_beta [102.7871]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Tm3FeTe]
_chemical_formula_sum '[Tm12 Fe4 Te4]'
_cell_volume [499.2027]
_cell_formula_units_Z [4]
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  4  0.0534  0.5000  0.8608  1.0
  Tm  Tm1  4  0.0908  0.0000  0.3955  1.0
  Tm  Tm2  4  0.2054  0.0000  0.7050  1.0
  Fe  Fe3  4  0.0595  0.5000  0.5941  1.0
  Te  Te4  4  0.1491  0.0000  0.0966  1.0
]