data_[Er4Zr4Ag4Se16]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Er  1.2400  1.7500  1.0300
  Zr  1.3300  1.5500  0.8600
  Ag  1.9300  1.6000  1.0867
  Se  2.5500  1.1500  1.0133
]
_symmetry_space_group_name_H-M [Imma]
_cell_length_a [7.9734]
_cell_length_b [8.2262]
_cell_length_c [11.4887]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [74]
_chemical_formula_structural [ErZrAgSe4]
_chemical_formula_sum '[Er4 Zr4 Ag4 Se16]'
_cell_volume [753.5528]
_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  4  0.0000  0.0000  0.0000  1.0
  Zr  Zr1  4  0.2500  0.2500  0.2500  1.0
  Ag  Ag2  4  0.0000  0.2500  0.6271  1.0
  Se  Se3  8  0.0000  0.0224  0.2479  1.0
  Se  Se4  8  0.2413  0.2500  0.0156  1.0
]