data_[Zr1Ag3As3]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Zr  1.3300  1.5500  0.8600
  Ag  1.9300  1.6000  1.0867
  As  2.1800  1.1500  0.6600
]
_symmetry_space_group_name_H-M [Pmm2]
_cell_length_a [3.6122]
_cell_length_b [5.4071]
_cell_length_c [20.5828]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [25]
_chemical_formula_structural [Zr(AgAs)3]
_chemical_formula_sum '[Zr1 Ag3 As3]'
_cell_volume [402.0155]
_cell_formula_units_Z [1]
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
[
  Zr  Zr0  1  0.5000  0.5000  0.5369  1
  Ag  Ag1  2  0.0000  0.2535  0.4282  1
  Ag  Ag2  1  0.5000  0.0000  0.3462  1
  As  As3  2  0.0000  0.2605  0.6175  1
  As  As4  1  0.5000  0.0000  0.5254  1
]