data_[Y2Zr1Ag1]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Y  1.2200  1.8000  1.0400
  Zr  1.3300  1.5500  0.8600
  Ag  1.9300  1.6000  1.0867
]
_symmetry_space_group_name_H-M [P2/m]
_cell_length_a [5.4788]
_cell_length_b [3.3538]
_cell_length_c [5.8585]
_cell_angle_alpha [90.0000]
_cell_angle_beta [108.0257]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [10]
_chemical_formula_structural [Y2ZrAg]
_chemical_formula_sum '[Y2 Zr1 Ag1]'
_cell_volume [102.3644]
_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
[
  Y  Y0  1  0.0000  0.0000  0.0000  1
  Y  Y1  1  0.0000  0.5000  0.5000  1
  Zr  Zr2  1  0.5000  0.5000  0.0000  1
  Ag  Ag3  1  0.5000  0.0000  0.5000  1
]