data_[Cs2Er2Sc2Te6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Cs  0.7900  2.6000  1.8100
  Er  1.2400  1.7500  1.0300
  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 [10.2131]
_cell_length_b [4.6104]
_cell_length_c [11.1398]
_cell_angle_alpha [90.0000]
_cell_angle_beta [111.6727]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [CsErScTe3]
_chemical_formula_sum '[Cs2 Er2 Sc2 Te6]'
_cell_volume [487.4513]
_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  0.2160  0.2500  0.2413  1.0
  Er  Er1  2  0.3369  0.7500  0.8665  1.0
  Sc  Sc2  2  0.0860  0.2500  0.6084  1.0
  Te  Te3  2  0.1285  0.2500  0.8711  1.0
  Te  Te4  2  0.2133  0.7500  0.5530  1.0
  Te  Te5  2  0.4733  0.7500  0.1571  1.0
]