data_[Er4Ag4Te6S2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Er  1.2400  1.7500  1.0300
  Ag  1.9300  1.6000  1.0867
  Te  2.1000  1.4000  1.2933
  S  2.5800  1.0000  0.8800
]
_symmetry_space_group_name_H-M [Cm]
_cell_length_a [9.5247]
_cell_length_b [10.2278]
_cell_length_c [4.4808]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.8851]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [8]
_chemical_formula_structural [Er2Ag2Te3S]
_chemical_formula_sum '[Er4 Ag4 Te6 S2]'
_cell_volume [436.4535]
_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  0.0150  0.0000  0.1937  1
  Er  Er1  2  0.4682  0.0000  0.7893  1
  Ag  Ag2  4  0.2560  0.2516  0.0271  1
  Te  Te3  4  0.0048  0.2052  0.7036  1
  Te  Te4  2  0.1964  0.5000  0.2894  1
  S  S5  2  0.2987  0.0000  0.2661  1
]