data_[Er2Ag2Te2S2]
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 [P2_1]
_cell_length_a [4.3571]
_cell_length_b [6.8113]
_cell_length_c [6.8363]
_cell_angle_alpha [90.0000]
_cell_angle_beta [91.7699]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [4]
_chemical_formula_structural [ErAgTeS]
_chemical_formula_sum '[Er2 Ag2 Te2 S2]'
_cell_volume [202.7858]
_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  0.2145  0.5093  0.2914  1
  Ag  Ag1  2  0.0045  0.9916  0.2516  1
  Te  Te2  2  0.2967  0.7967  0.9467  1
  S  S3  2  0.2636  0.2024  0.5492  1
]