data_[Y2Lu2Zr2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Y  1.2200  1.8000  1.0400
  Lu  1.2700  1.7500  1.0010
  Zr  1.3300  1.5500  0.8600
]
_symmetry_space_group_name_H-M [I4mm]
_cell_length_a [3.4033]
_cell_length_b [3.4033]
_cell_length_c [14.5149]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [107]
_chemical_formula_structural [YLuZr]
_chemical_formula_sum '[Y2 Lu2 Zr2]'
_cell_volume [168.1213]
_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  0.9900  1.0
  Lu  Lu1  2  0.0000  0.0000  0.6791  1.0
  Zr  Zr2  2  0.0000  0.0000  0.3309  1.0
]