data_La2BeNb
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.45
_cell_length_b   5.45
_cell_length_c   5.48
_cell_angle_alpha   99.71
_cell_angle_beta   99.71
_cell_angle_gamma   36.11
_symmetry_Int_Tables_number   1
_chemical_formula_structural   La2BeNb
_chemical_formula_sum   'La2 Be1 Nb1'
_cell_volume   94.23
_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  0.13  0.0  0.2  1.0
  La  La2  1  0.25  0.0  0.19  1.0
  Be  Be0  1  0.0  0.0  0.0  1.0
  Nb  Nb3  1  0.69  0.0  0.69  1.0

data_La2BeNb
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.38
_cell_length_b   5.45
_cell_length_c   5.48
_cell_angle_alpha   99.71
_cell_angle_beta   90.0
_cell_angle_gamma   108.05
_symmetry_Int_Tables_number   1
_chemical_formula_structural   La2BeNb
_chemical_formula_sum   'La2 Be1 Nb1'
_cell_volume   94.23
_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  0.75  0.81  1.0
  La  La1  1  0.0  0.87  0.8  1.0
  Be  Be2  1  0.0  0.0  0.0  1.0
  Nb  Nb3  1  0.0  0.31  0.31  1.0

La La Be Nb