data_LaBeRh2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.99
_cell_length_b   3.99
_cell_length_c   5.64
_cell_angle_alpha   107.6
_cell_angle_beta   107.6
_cell_angle_gamma   59.86
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LaBeRh2
_chemical_formula_sum   'La1 Be1 Rh2'
_cell_volume   72.59
_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  0.78  0.0  0.41  1.0
  Be  Be0  1  0.51  0.0  0.77  1.0
  Rh  Rh2  1  0.85  0.0  0.74  1.0
  Rh  Rh3  1  0.22  0.0  0.29  1.0

data_LaBeRh2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.98
_cell_length_b   3.99
_cell_length_c   5.64
_cell_angle_alpha   107.6
_cell_angle_beta   90.0
_cell_angle_gamma   119.93
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LaBeRh2
_chemical_formula_sum   'La1 Be1 Rh2'
_cell_volume   72.59
_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  0.22  0.59  1.0
  Be  Be1  1  0.0  0.49  0.23  1.0
  Rh  Rh2  1  0.0  0.15  0.26  1.0
  Rh  Rh3  1  0.0  0.78  0.71  1.0

La Be Rh Rh