data_[Na2Y2Zr2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Na  0.9300  1.8000  1.1600
  Y  1.2200  1.8000  1.0400
  Zr  1.3300  1.5500  0.8600
]
_symmetry_space_group_name_H-M [P1]
_cell_length_a [3.3051]
_cell_length_b [5.4026]
_cell_length_c [9.8784]
_cell_angle_alpha [89.4341]
_cell_angle_beta [89.3013]
_cell_angle_gamma [89.7950]
_symmetry_Int_Tables_number [1]
_chemical_formula_structural [NaYZr]
_chemical_formula_sum '[Na2 Y2 Zr2]'
_cell_volume [176.3671]
_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  1  0.5131  0.1832  0.9677  1
  Na  Na1  1  0.9710  0.6858  0.8141  1
  Y  Y2  1  0.4194  0.1922  0.5870  1
  Y  Y3  1  0.9166  0.6932  0.4507  1
  Zr  Zr4  1  0.4261  0.6752  0.1772  1
  Zr  Zr5  1  0.9331  0.1949  0.2825  1
]