data_[Er8Sc4Te20]
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 [6.0388]
_cell_length_b [14.6281]
_cell_length_c [13.1670]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [63]
_chemical_formula_structural [Er2ScTe5]
_chemical_formula_sum '[Er8 Sc4 Te20]'
_cell_volume [1163.1158]
_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  8  0.0000  0.1633  0.5625  1
  Sc  Sc1  4  0.0000  0.1975  0.2500  1
  Te  Te2  8  0.0000  0.0345  0.1241  1
  Te  Te3  8  0.0000  0.3260  0.0806  1
  Te  Te4  4  0.0000  0.2832  0.7500  1
]