data_Li2ZrBe
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.99
_cell_length_b   5.99
_cell_length_c   2.68
_cell_angle_alpha   102.32
_cell_angle_beta   102.32
_cell_angle_gamma   125.21
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Li2ZrBe
_chemical_formula_sum   'Li2 Zr1 Be1'
_cell_volume   69.57
_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  Li1  1  0.76  0.66  0.19  1.0
  Li  Li2  1  0.76  0.34  0.19  1.0
  Zr  Zr3  1  0.76  0.0  0.0  1.0
  Be  Be0  1  0.0  0.0  0.0  1.0

data_Li2ZrBe
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.68
_cell_length_b   4.88
_cell_length_c   5.99
_cell_angle_alpha   113.71
_cell_angle_beta   102.32
_cell_angle_gamma   91.46
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Li2ZrBe
_chemical_formula_sum   'Li2 Zr1 Be1'
_cell_volume   69.57
_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  0.53  0.34  0.1  1.0
  Li  Li1  1  0.85  0.66  0.42  1.0
  Zr  Zr2  1  -0.0  0.0  0.76  1.0
  Be  Be3  1  0.0  0.0  0.0  1.0

Li Li Zr Be