data_[Re4Sb4Te4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Re  1.9000  1.3500  0.7125
  Sb  2.0500  1.4500  0.8300
  Te  2.1000  1.4000  1.2933
]
_symmetry_space_group_name_H-M [P2_1/c]
_cell_length_a [6.7329]
_cell_length_b [6.7752]
_cell_length_c [6.8599]
_cell_angle_alpha [90.0000]
_cell_angle_beta [119.2449]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [14]
_chemical_formula_structural [ReSbTe]
_chemical_formula_sum '[Re4 Sb4 Te4]'
_cell_volume [273.0365]
_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  4  0.2556  0.0022  0.9985  1
  Sb  Sb1  4  0.1507  0.6559  0.7986  1
  Te  Te2  4  0.3415  0.1341  0.6768  1
]