data_[Er2Sc6Te12]
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 [P2_1/m]
_cell_length_a [12.0535]
_cell_length_b [4.1818]
_cell_length_c [12.3096]
_cell_angle_alpha [90.0000]
_cell_angle_beta [109.4852]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [Er(ScTe2)3]
_chemical_formula_sum '[Er2 Sc6 Te12]'
_cell_volume [584.9264]
_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
[
  Er  Er0  2  0.0474  0.2500  0.6988  1
  Sc  Sc1  2  0.1559  0.2500  0.0816  1
  Sc  Sc2  2  0.3158  0.7500  0.4974  1
  Sc  Sc3  2  0.4353  0.2500  0.8378  1
  Te  Te4  2  0.0826  0.7500  0.9047  1
  Te  Te5  2  0.1147  0.2500  0.4684  1
  Te  Te6  2  0.1970  0.7500  0.2493  1
  Te  Te7  2  0.2605  0.7500  0.7235  1
  Te  Te8  2  0.3909  0.2500  0.0613  1
  Te  Te9  2  0.4791  0.2500  0.6172  1
]