data_LaHfBe2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.97
_cell_length_b   5.97
_cell_length_c   5.97
_cell_angle_alpha   146.05
_cell_angle_beta   138.75
_cell_angle_gamma   54.45
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LaHfBe2
_chemical_formula_sum   'La1 Hf1 Be2'
_cell_volume   78.01
_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  0.0  0.0  0.29  1.0
  Hf  Hf2  1  0.0  0.1  0.19  1.0
  Be  Be0  1  0.74  0.0  0.47  1.0
  Be  Be1  1  0.0  0.0  0.68  1.0

data_LaHfBe2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.49
_cell_length_b   4.21
_cell_length_c   5.97
_cell_angle_alpha   110.62
_cell_angle_beta   106.97
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LaHfBe2
_chemical_formula_sum   'La1 Hf1 Be2'
_cell_volume   78.01
_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  0.29  0.29  1.0
  Hf  Hf1  1  0.9  0.09  0.09  1.0
  Be  Be2  1  0.0  0.47  0.72  1.0
  Be  Be3  1  0.0  0.68  0.68  1.0

La Hf Be Be