data_[Zr2Zn1Ag1]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Zr  1.3300  1.5500  0.8600
  Zn  1.6500  1.3500  0.8800
  Ag  1.9300  1.6000  1.0867
]
_symmetry_space_group_name_H-M [Pmm2]
_cell_length_a [2.9961]
_cell_length_b [4.9910]
_cell_length_c [5.2202]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [25]
_chemical_formula_structural [Zr2ZnAg]
_chemical_formula_sum '[Zr2 Zn1 Ag1]'
_cell_volume [78.0620]
_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  0.0000  0.0000  0.0752  1.0
  Zr  Zr1  1  0.0000  0.5000  0.6847  1.0
  Zn  Zn2  1  0.5000  0.5000  0.1868  1.0
  Ag  Ag3  1  0.5000  0.0000  0.5534  1.0
]