data_[Re4Te8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Re  1.9000  1.3500  0.7125
  Te  2.1000  1.4000  1.2933
]
_symmetry_space_group_name_H-M [Pc]
_cell_length_a [5.3661]
_cell_length_b [20.8462]
_cell_length_c [9.5631]
_cell_angle_alpha [90.0000]
_cell_angle_beta [106.2216]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [7]
_chemical_formula_structural [ReTe2]
_chemical_formula_sum '[Re4 Te8]'
_cell_volume [1027.1674]
_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
[
  Re  Re0  2  0.4935  0.4726  0.6999  1
  Re  Re1  2  0.9561  0.4680  0.7700  1
  Te  Te2  2  0.0485  0.4505  0.0687  1
  Te  Te3  2  0.3583  0.4452  0.3994  1
  Te  Te4  2  0.4146  0.3862  0.8849  1
  Te  Te5  2  0.7290  0.3598  0.6771  1
]