data_[Sr8Zr4Ag4Se20]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Sr  0.9500  2.0000  1.3200
  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 [Cmc2_1]
_cell_length_a [4.0579]
_cell_length_b [18.3325]
_cell_length_c [12.8826]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [36]
_chemical_formula_structural [Sr2ZrAgSe5]
_chemical_formula_sum '[Sr8 Zr4 Ag4 Se20]'
_cell_volume [958.3660]
_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
[
  Sr  Sr0  4  0.0000  0.1152  0.6855  1.0
  Sr  Sr1  4  0.0000  0.1245  0.3214  1.0
  Zr  Zr2  4  0.0000  0.1999  0.0180  1.0
  Ag  Ag3  4  0.0000  0.4401  0.4391  1.0
  Se  Se4  4  0.0000  0.0522  0.0610  1.0
  Se  Se5  4  0.0000  0.2893  0.6622  1.0
  Se  Se6  4  0.0000  0.3002  0.3689  1.0
  Se  Se7  4  0.0000  0.3477  0.0073  1.0
  Se  Se8  4  0.0000  0.4961  0.7606  1.0
]