data_LiMgBe2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.85
_cell_length_b   4.85
_cell_length_c   2.59
_cell_angle_alpha   98.4
_cell_angle_beta   98.4
_cell_angle_gamma   117.58
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LiMgBe2
_chemical_formula_sum   'Li1 Mg1 Be2'
_cell_volume   51.85
_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  Li2  1  0.0  0.0  0.0  1.0
  Mg  Mg3  1  0.51  0.0  0.0  1.0
  Be  Be0  1  0.89  0.92  0.24  1.0
  Be  Be1  1  0.89  0.08  0.24  1.0

data_LiMgBe2
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.59
_cell_length_b   4.85
_cell_length_c   4.85
_cell_angle_alpha   117.58
_cell_angle_beta   98.4
_cell_angle_gamma   98.4
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LiMgBe2
_chemical_formula_sum   'Li1 Mg1 Be2'
_cell_volume   51.85
_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  0.0  0.0  0.0  1.0
  Mg  Mg1  1  0.0  0.51  0.0  1.0
  Be  Be2  1  0.24  0.89  0.08  1.0
  Be  Be3  1  0.24  0.89  0.92  1.0

Li Mg Be Be
Li Mg Be Be 0 2 - - o 0 3 - o o 1 3 o o o 2 3 o + o 