data_[Rb4Sc4Fe4Te12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Rb  0.8200  2.3500  1.6600
  Sc  1.3600  1.6000  0.8850
  Fe  1.8300  1.4000  0.8525
  Te  2.1000  1.4000  1.2933
]
_symmetry_space_group_name_H-M [Cmcm]
_cell_length_a [4.2170]
_cell_length_b [16.7099]
_cell_length_c [11.0499]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [63]
_chemical_formula_structural [RbScFeTe3]
_chemical_formula_sum '[Rb4 Sc4 Fe4 Te12]'
_cell_volume [778.6431]
_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
[
  Rb  Rb0  4  0.0000  0.2505  0.2500  1.0
  Sc  Sc1  4  0.0000  0.0000  0.0000  1.0
  Fe  Fe2  4  0.0000  0.4684  0.7500  1.0
  Te  Te3  8  0.0000  0.3816  0.5548  1.0
  Te  Te4  4  0.0000  0.0638  0.7500  1.0
]