data_[Cs2Sc2Te4]
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
]
_symmetry_space_group_name_H-M [P2_1/m]
_cell_length_a [7.7209]
_cell_length_b [4.1620]
_cell_length_c [11.1093]
_cell_angle_alpha [90.0000]
_cell_angle_beta [107.8481]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [CsScTe2]
_chemical_formula_sum '[Cs2 Sc2 Te4]'
_cell_volume [339.8076]
_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  0.1294  0.2500  0.8075  1.0
  Sc  Sc1  2  0.4499  0.7500  0.3501  1.0
  Te  Te2  2  0.2687  0.7500  0.5353  1.0
  Te  Te3  2  0.2972  0.2500  0.1696  1.0
]