data_[Na2Zr2Ag2Se6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Na  0.9300  1.8000  1.1600
  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 [P2_1/m]
_cell_length_a [7.8444]
_cell_length_b [3.9436]
_cell_length_c [9.7896]
_cell_angle_alpha [90.0000]
_cell_angle_beta [105.9519]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [NaZrAgSe3]
_chemical_formula_sum '[Na2 Zr2 Ag2 Se6]'
_cell_volume [291.1860]
_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
[
  Na  Na0  2  0.2485  0.2500  0.2919  1.0
  Zr  Zr1  2  0.3131  0.7500  0.8324  1.0
  Ag  Ag2  2  0.0780  0.2500  0.6027  1.0
  Se  Se3  2  0.0882  0.2500  0.8688  1.0
  Se  Se4  2  0.2887  0.7500  0.5536  1.0
  Se  Se5  2  0.4311  0.7500  0.1331  1.0
]