data_[Y10Zr2]
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 [Cm]
_cell_length_a [12.8454]
_cell_length_b [3.5679]
_cell_length_c [8.3242]
_cell_angle_alpha [90.0000]
_cell_angle_beta [102.9996]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [8]
_chemical_formula_structural [Y5Zr]
_chemical_formula_sum '[Y10 Zr2]'
_cell_volume [371.7297]
_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  0.0062  0.0000  0.9978  1.0
  Y  Y1  2  0.0606  0.0000  0.6190  1.0
  Y  Y2  2  0.1668  0.5000  0.3261  1.0
  Y  Y3  2  0.3290  0.0000  0.6784  1.0
  Y  Y4  2  0.3824  0.0000  0.2664  1.0
  Zr  Zr5  2  0.2216  0.5000  0.9456  1.0
]