data_LaBe2Mo
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.89
_cell_length_b   3.89
_cell_length_c   5.8
_cell_angle_alpha   106.79
_cell_angle_beta   106.79
_cell_angle_gamma   58.01
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LaBe2Mo
_chemical_formula_sum   'La1 Be2 Mo1'
_cell_volume   70.24
_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  0.59  0.0  0.79  1.0
  Be  Be0  1  0.81  0.0  0.2  1.0
  Be  Be1  1  0.32  0.0  0.09  1.0
  Mo  Mo3  1  0.49  0.0  0.61  1.0

data_LaBe2Mo
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.77
_cell_length_b   3.89
_cell_length_c   5.8
_cell_angle_alpha   106.79
_cell_angle_beta   90.0
_cell_angle_gamma   119.01
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LaBe2Mo
_chemical_formula_sum   'La1 Be2 Mo1'
_cell_volume   70.24
_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  La0  1  0.0  0.41  0.21  1.0
  Be  Be1  1  0.0  0.19  0.8  1.0
  Be  Be2  1  0.0  0.68  0.91  1.0
  Mo  Mo3  1  0.0  0.51  0.39  1.0

La Be Be Mo
La Be Be Mo 0 3 o o o 0 1 o o + 0 2 o o + 1 2 o o o 1 2 + o o 
Be2LaMo crystallizes in the triclinic P1 space group. There are two inequivalent Be sites. In the first Be site, Be(1) is bonded in a distorted pentagonal planar geometry to two equivalent Be(2), one La(1), and two equivalent Mo(1) atoms. There is one shorter (1.84 Å) and one longer (2.22 Å) Be(1)-Be(2) bond length. The Be(1)-La(1) bond length is 2.26 Å. There is one shorter (2.99 Å) and one longer (3.02 Å) Be(1)-Mo(1) bond length. In the second Be site, Be(2) is bonded in a 6-coordinate geometry to two equivalent Be(1), three equivalent La(1), and one Mo(1) atom. There are a spread of Be(2)-La(1) bond distances ranging from 2.26-3.47 Å. The Be(2)-Mo(1) bond length is 2.89 Å. La(1) is bonded in a single-bond geometry to one Be(1), three equivalent Be(2), and one Mo(1) atom. The La(1)-Mo(1) bond length is 1.01 Å. Mo(1) is bonded in a single-bond geometry to one Be(2), two equivalent Be(1), and one La(1) atom.