data_LaBeCu2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.68
_cell_length_b   4.68
_cell_length_c   4.68
_cell_angle_alpha   120.88
_cell_angle_beta   120.88
_cell_angle_gamma   88.48
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LaBeCu2
_chemical_formula_sum   'La1 Be1 Cu2'
_cell_volume   71.34
_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  0.35  1.0
  Be  Be0  1  0.0  0.0  0.0  1.0
  Cu  Cu1  1  0.31  0.0  0.68  1.0
  Cu  Cu2  1  0.0  0.31  0.68  1.0

data_LaBeCu2
_symmetry_space_group_name_H-M   Cm
_cell_length_a   6.53
_cell_length_b   6.53
_cell_length_c   4.68
_cell_angle_alpha   90.0
_cell_angle_beta   134.24
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   LaBeCu2
_chemical_formula_sum   'La2 Be2 Cu4'
_cell_volume   142.69
_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  0.0  0.0  0.35  1.0
  Be  Be1  2  0.0  0.0  0.0  1.0
  Cu  Cu2  4  0.35  0.35  0.37  1.0

La Be Cu Cu
La Be Cu Cu 0 3 o o o 0 1 o o o 0 2 o o o 