data_[Rb4Zr2Sc4Te12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Rb  0.8200  2.3500  1.6600
  Zr  1.3300  1.5500  0.8600
  Sc  1.3600  1.6000  0.8850
  Te  2.1000  1.4000  1.2933
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [7.2923]
_cell_length_b [12.6291]
_cell_length_c [9.1448]
_cell_angle_alpha [90.0000]
_cell_angle_beta [105.5592]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Rb2Zr(ScTe3)2]
_chemical_formula_sum '[Rb4 Zr2 Sc4 Te12]'
_cell_volume [811.3298]
_cell_formula_units_Z [2]
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  0.1664  0.0000  1.0
  Zr  Zr1  2  0.0000  0.0000  0.5000  1.0
  Sc  Sc2  4  0.0000  0.3319  0.5000  1.0
  Te  Te3  8  0.2315  0.1645  0.6905  1.0
  Te  Te4  4  0.2290  0.5000  0.6891  1.0
]