data_[Li2Zr4Ag4Se12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Li  0.9800  1.4500  0.9000
  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 [C2/m]
_cell_length_a [6.7755]
_cell_length_b [11.5990]
_cell_length_c [6.6098]
_cell_angle_alpha [90.0000]
_cell_angle_beta [94.1958]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [LiZr2(AgSe3)2]
_chemical_formula_sum '[Li2 Zr4 Ag4 Se12]'
_cell_volume [518.0697]
_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
[
  Li  Li0  2  0.0000  0.5000  0.5000  1.0
  Zr  Zr1  4  0.0000  0.1733  0.5000  1.0
  Ag  Ag2  4  0.0000  0.1628  0.0000  1.0
  Se  Se3  8  0.1540  0.3350  0.2630  1.0
  Se  Se4  4  0.1551  0.0000  0.2744  1.0
]