data_[Re1Sb1Te4]
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 [Pmm2]
_cell_length_a [3.3366]
_cell_length_b [9.0653]
_cell_length_c [19.2220]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [25]
_chemical_formula_structural [ReSbTe4]
_chemical_formula_sum '[Re1 Sb1 Te4]'
_cell_volume [581.4068]
_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
[
  Re  Re0  1  0.5000  0.0000  0.4983  1
  Sb  Sb1  1  0.0000  0.0000  0.6130  1
  Te  Te2  2  0.5000  0.2832  0.5358  1
  Te  Te3  1  0.0000  0.0000  0.3933  1
  Te  Te4  1  0.5000  0.5000  0.4239  1
]