[CIF]
data_LiLuZr2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.01448309
_cell_length_b   5.01448309
_cell_length_c   5.01448309
_cell_angle_alpha   60.00000000
_cell_angle_beta   60.00000000
_cell_angle_gamma   60.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LiLuZr2
_chemical_formula_sum   'Li1 Lu1 Zr2'
_cell_volume   89.15865669
_cell_formula_units_Z   1
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  1  -0.00000000  0.00000000  0.00000000  1
  Lu  Lu1  1  3.54577500  3.54577500  3.54577500  1
  Zr  Zr2  1  5.31866250  5.31866250  5.31866250  1
  Zr  Zr3  1  1.77288750  1.77288750  1.77288750  1
[/CIF]
