data_[Er12Ge4Te24]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Er  1.2400  1.7500  1.0300
  Ge  2.0100  1.2500  0.7700
  Te  2.1000  1.4000  1.2933
]
_symmetry_space_group_name_H-M [Cmc2_1]
_cell_length_a [12.0031]
_cell_length_b [14.8725]
_cell_length_c [7.2970]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [36]
_chemical_formula_structural [Er3GeTe6]
_chemical_formula_sum '[Er12 Ge4 Te24]'
_cell_volume [1302.6332]
_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  0.1824  0.0974  0.9838  1.0
  Er  Er1  4  0.0000  0.4067  0.8774  1.0
  Ge  Ge2  4  0.0000  0.2021  0.5237  1.0
  Te  Te3  8  0.1635  0.4626  0.1776  1.0
  Te  Te4  8  0.1742  0.2707  0.7192  1.0
  Te  Te5  4  0.0000  0.0333  0.6840  1.0
  Te  Te6  4  0.0000  0.2215  0.1391  1.0
]