data_[Cs2Sc2Te2O8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Cs  0.7900  2.6000  1.8100
  Sc  1.3600  1.6000  0.8850
  Te  2.1000  1.4000  1.2933
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [P2_1/m]
_cell_length_a [6.0120]
_cell_length_b [6.0807]
_cell_length_c [7.9022]
_cell_angle_alpha [90.0000]
_cell_angle_beta [101.8464]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [CsScTeO4]
_chemical_formula_sum '[Cs2 Sc2 Te2 O8]'
_cell_volume [282.7261]
_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
[
  Cs  Cs0  2  0.3768  0.2500  0.8635  1
  Sc  Sc1  2  0.3553  0.7500  0.5401  1
  Te  Te2  2  0.0915  0.2500  0.3033  1
  O  O3  4  0.3349  0.0240  0.3706  1
  O  O4  2  0.0169  0.2500  0.5245  1
  O  O5  2  0.2770  0.7500  0.7727  1
]