data_[Li6Dy2Zr2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Li  0.9800  1.4500  0.9000
  Dy  1.2200  1.7500  1.1310
  Zr  1.3300  1.5500  0.8600
]
_symmetry_space_group_name_H-M [P6_3/mmc]
_cell_length_a [9.9585]
_cell_length_b [9.9585]
_cell_length_c [4.7824]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [194]
_chemical_formula_structural [Li3DyZr]
_chemical_formula_sum '[Li6 Dy2 Zr2]'
_cell_volume [410.7369]
_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
[
  Li  Li0  6  0.1546  0.3092  0.2500  1
  Dy  Dy1  2  0.3333  0.6667  0.2500  1
  Zr  Zr2  2  0.0000  0.0000  0.0000  1
]