data_[Y2Zr10]
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
]
_symmetry_space_group_name_H-M [Amm2]
_cell_length_a [5.2233]
_cell_length_b [3.2861]
_cell_length_c [17.1929]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [38]
_chemical_formula_structural [YZr5]
_chemical_formula_sum '[Y2 Zr10]'
_cell_volume [295.1034]
_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
[
  Y  Y0  2  0.0000  0.0000  0.9995  1.0
  Zr  Zr1  2  0.0000  0.0000  0.3285  1.0
  Zr  Zr2  2  0.0000  0.0000  0.6694  1.0
  Zr  Zr3  2  0.5000  0.0000  0.2225  1.0
  Zr  Zr4  2  0.5000  0.0000  0.5613  1.0
  Zr  Zr5  2  0.5000  0.0000  0.8855  1.0
]