data_[Tm3Re1Te5]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Tm  1.2500  1.7500  1.0950
  Re  1.9000  1.3500  0.7125
  Te  2.1000  1.4000  1.2933
]
_symmetry_space_group_name_H-M [P-62m]
_cell_length_a [8.3412]
_cell_length_b [8.3412]
_cell_length_c [4.2995]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [189]
_chemical_formula_structural [Tm3ReTe5]
_chemical_formula_sum '[Tm3 Re1 Te5]'
_cell_volume [259.0662]
_cell_formula_units_Z [1]
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  3  0.0000  0.2588  0.5000  1
  Re  Re1  1  0.0000  0.0000  0.0000  1
  Te  Te2  3  0.0000  0.6859  0.0000  1
  Te  Te3  2  0.3333  0.6667  0.5000  1
]