data_[Er4Ag4Se8]
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
  Se  2.5500  1.1500  1.0133
]
_symmetry_space_group_name_H-M [Cm]
_cell_length_a [13.5138]
_cell_length_b [5.5438]
_cell_length_c [5.7506]
_cell_angle_alpha [90.0000]
_cell_angle_beta [114.4287]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [8]
_chemical_formula_structural [ErAgSe2]
_chemical_formula_sum '[Er4 Ag4 Se8]'
_cell_volume [392.2518]
_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  2  0.2430  0.5000  0.2512  1.0
  Er  Er1  2  0.4880  0.5000  0.9758  1.0
  Ag  Ag2  2  0.0208  0.5000  0.6160  1.0
  Ag  Ag3  2  0.2992  0.0000  0.6780  1.0
  Se  Se4  2  0.0086  0.5000  0.0786  1.0
  Se  Se5  2  0.2188  0.0000  0.1661  1.0
  Se  Se6  2  0.2549  0.5000  0.7553  1.0
  Se  Se7  2  0.4737  0.5000  0.4762  1.0
]