data_LaSc2Be
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.69
_cell_length_b   5.69
_cell_length_c   5.69
_cell_angle_alpha   134.03
_cell_angle_beta   134.03
_cell_angle_gamma   67.04
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LaSc2Be
_chemical_formula_sum   'La1 Sc2 Be1'
_cell_volume   93.47
_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  0.0  0.0  0.74  1.0
  Sc  Sc2  1  0.0  0.22  0.37  1.0
  Sc  Sc3  1  0.22  0.0  0.37  1.0
  Be  Be0  1  0.0  0.0  0.0  1.0

data_LaSc2Be
_symmetry_space_group_name_H-M   Cm
_cell_length_a   6.28
_cell_length_b   6.28
_cell_length_c   5.69
_cell_angle_alpha   90.0
_cell_angle_beta   123.52
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   LaSc2Be
_chemical_formula_sum   'La2 Sc4 Be2'
_cell_volume   186.95
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  'x, -y, z'
  3  'x+1/2, y+1/2, z'
  4  'x+1/2, -y+1/2, 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  2  0.26  0.0  0.26  1.0
  Sc  Sc1  4  0.24  0.39  0.85  1.0
  Be  Be2  2  0.0  0.0  0.0  1.0

La Sc Sc Be