data_LaBeB2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.67
_cell_length_b   4.67
_cell_length_c   4.67
_cell_angle_alpha   140.99
_cell_angle_beta   104.37
_cell_angle_gamma   88.55
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LaBeB2
_chemical_formula_sum   'La1 Be1 B2'
_cell_volume   59.62
_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  La3  1  0.56  0.0  0.48  1.0
  Be  Be2  1  0.0  0.0  0.07  1.0
  B  B0  1  0.0  0.0  0.89  1.0
  B  B1  1  0.0  0.86  0.93  1.0

data_LaBeB2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.12
_cell_length_b   4.67
_cell_length_c   4.67
_cell_angle_alpha   75.63
_cell_angle_beta   70.5
_cell_angle_gamma   70.5
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LaBeB2
_chemical_formula_sum   'La1 Be1 B2'
_cell_volume   59.62
_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  0.92  0.56  0.52  1.0
  Be  Be1  1  0.07  -0.0  0.93  1.0
  B  B2  1  0.89  0.0  0.11  1.0
  B  B3  1  0.93  0.0  0.93  1.0

La Be B B