data_[Er4Sc8Te16]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  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 [Cmcm]
_cell_length_a [4.1130]
_cell_length_b [13.6533]
_cell_length_c [14.5256]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [63]
_chemical_formula_structural [Er(ScTe2)2]
_chemical_formula_sum '[Er4 Sc8 Te16]'
_cell_volume [815.7004]
_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
[
  Er  Er0  4  0.0000  0.3729  0.2500  1.0
  Sc  Sc1  8  0.0000  0.1293  0.0669  1.0
  Te  Te2  8  0.0000  0.2248  0.6179  1.0
  Te  Te3  4  0.0000  0.0383  0.2500  1.0
  Te  Te4  4  0.0000  0.5000  0.0000  1.0
]