data_La2TaBe
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.33
_cell_length_b   6.07
_cell_length_c   6.07
_cell_angle_alpha   40.42
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   La2TaBe
_chemical_formula_sum   'La2 Ta1 Be1'
_cell_volume   103.62
_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  La1  1  0.17  0.0  0.23  1.0
  La  La2  1  0.0  0.0  0.92  1.0
  Ta  Ta3  1  0.17  0.0  0.24  1.0
  Be  Be0  1  0.0  0.0  0.46  1.0

data_La2TaBe
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.2
_cell_length_b   4.33
_cell_length_c   6.07
_cell_angle_alpha   90.0
_cell_angle_beta   110.21
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   La2TaBe
_chemical_formula_sum   'La2 Ta1 Be1'
_cell_volume   103.62
_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  0.08  0.0  0.08  1.0
  La  La1  1  0.77  0.17  0.77  1.0
  Ta  Ta2  1  0.76  0.17  0.76  1.0
  Be  Be3  1  0.54  0.0  0.54  1.0

La La Ta Be