data_LaYTiBe
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.07
_cell_length_b   5.07
_cell_length_c   5.07
_cell_angle_alpha   60.0
_cell_angle_beta   60.0
_cell_angle_gamma   60.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LaYTiBe
_chemical_formula_sum   'La1 Y1 Ti1 Be1'
_cell_volume   92.42
_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  La1  1  0.38  0.38  0.38  1.0
  Y  Y3  1  0.59  0.59  0.59  1.0
  Ti  Ti2  1  0.79  0.79  0.79  1.0
  Be  Be0  1  0.0  0.0  0.0  1.0

data_LaYTiBe
_symmetry_space_group_name_H-M   R3m
_cell_length_a   5.07
_cell_length_b   5.07
_cell_length_c   12.43
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   160
_chemical_formula_structural   LaYTiBe
_chemical_formula_sum   'La3 Y3 Ti3 Be3'
_cell_volume   277.26
_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  0.62  1.0
  Y  Y1  3  0.0  0.0  0.41  1.0
  Ti  Ti2  3  0.0  0.0  0.21  1.0
  Be  Be3  3  0.0  0.0  0.0  1.0

La Y Ti Be
La Y Ti Be 0 1 o - o 0 1 - o o 0 1 o o - 0 1 o o o 0 3 o o + 0 3 o + o 0 3 + o o 0 2 - o o 0 2 o - o 0 2 o o - 1 2 o - o 1 2 - o o 1 2 o o - 1 2 o o o 1 3 o + + 1 3 + o + 1 3 + + o 2 3 + o + 2 3 o + + 2 3 + + o 2 3 + + + 
BeLaYTi crystallizes in the trigonal R3m space group. Be(1) is bonded in a 7-coordinate geometry to three equivalent La(1), three equivalent Y(1), and one Ti(1) atom. All Be(1)-La(1) bond lengths are 2.99 Å. All Be(1)-Y(1) bond lengths are 3.09 Å. The Be(1)-Ti(1) bond length is 2.56 Å. La(1) is bonded in a 10-coordinate geometry to three equivalent Be(1), four equivalent Y(1), and three equivalent Ti(1) atoms. There is one shorter (2.56 Å) and three longer (3.33 Å) La(1)-Y(1) bond lengths. All La(1)-Ti(1) bond lengths are 3.09 Å. Y(1) is bonded in a 11-coordinate geometry to three equivalent Be(1), four equivalent La(1), and four equivalent Ti(1) atoms. There is one shorter (2.56 Å) and three longer (3.33 Å) Y(1)-Ti(1) bond lengths. Ti(1) is bonded in a 8-coordinate geometry to one Be(1), three equivalent La(1), and four equivalent Y(1) atoms.