data_LaHfMgBe
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.99
_cell_length_b   4.99
_cell_length_c   4.99
_cell_angle_alpha   60.0
_cell_angle_beta   60.0
_cell_angle_gamma   60.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LaHfMgBe
_chemical_formula_sum   'La1 Hf1 Mg1 Be1'
_cell_volume   87.72
_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
  La  La2  1  0.53  0.53  0.53  1.0
  Hf  Hf1  1  0.76  0.76  0.76  1.0
  Mg  Mg3  1  0.29  0.29  0.29  1.0
  Be  Be0  1  0.0  0.0  0.0  1.0

data_LaHfMgBe
_symmetry_space_group_name_H-M   R3m
_cell_length_a   4.99
_cell_length_b   4.99
_cell_length_c   12.22
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   160
_chemical_formula_structural   LaHfMgBe
_chemical_formula_sum   'La3 Hf3 Mg3 Be3'
_cell_volume   263.17
_cell_formula_units_Z   3
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  '-y, x-y, z'
  3  '-x+y, -x, z'
  4  '-y, -x, z'
  5  '-x+y, y, z'
  6  'x, x-y, z'
  7  'x+1/3, y+2/3, z+2/3'
  8  '-y+1/3, x-y+2/3, z+2/3'
  9  '-x+y+1/3, -x+2/3, z+2/3'
  10  '-y+1/3, -x+2/3, z+2/3'
  11  '-x+y+1/3, y+2/3, z+2/3'
  12  'x+1/3, x-y+2/3, z+2/3'
  13  'x+2/3, y+1/3, z+1/3'
  14  '-y+2/3, x-y+1/3, z+1/3'
  15  '-x+y+2/3, -x+1/3, z+1/3'
  16  '-y+2/3, -x+1/3, z+1/3'
  17  '-x+y+2/3, y+1/3, z+1/3'
  18  'x+2/3, x-y+1/3, z+1/3'
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
  La  La0  3  0.0  0.0  0.47  1.0
  Hf  Hf1  3  0.0  0.0  0.24  1.0
  Mg  Mg2  3  0.0  0.0  0.71  1.0
  Be  Be3  3  0.0  0.0  0.0  1.0

La Hf Mg Be
MgBeLaHf crystallizes in the trigonal R3m space group. Mg(1) is bonded in a 7-coordinate geometry to three equivalent Be(1) and four equivalent La(1) atoms. All Mg(1)-Be(1) bond lengths are 2.93 Å. There is one shorter (2.89 Å) and three longer (3.11 Å) Mg(1)-La(1) bond lengths. Be(1) is bonded in a 10-coordinate geometry to three equivalent Mg(1), three equivalent La(1), and four equivalent Hf(1) atoms. All Be(1)-La(1) bond lengths are 3.35 Å. There is one shorter (2.89 Å) and three longer (3.11 Å) Be(1)-Hf(1) bond lengths. La(1) is bonded in a 11-coordinate geometry to four equivalent Mg(1), three equivalent Be(1), and four equivalent Hf(1) atoms. There is one shorter (2.89 Å) and three longer (3.11 Å) La(1)-Hf(1) bond lengths. Hf(1) is bonded in a distorted body-centered cubic geometry to four equivalent Be(1) and four equivalent La(1) atoms.