data_LaCu2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.45
_cell_length_b   6.45
_cell_length_c   6.45
_cell_angle_alpha   144.54
_cell_angle_beta   126.35
_cell_angle_gamma   65.97
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LaCu2
_chemical_formula_sum   'La2 Cu4'
_cell_volume   123.67
_cell_formula_units_Z   2
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  La4  1  0.0  0.91  0.58  1.0
  La  La5  1  0.96  0.0  0.83  1.0
  Cu  Cu0  1  0.0  0.0  0.6  1.0
  Cu  Cu1  1  0.0  0.14  0.0  1.0
  Cu  Cu2  1  0.0  0.68  0.0  1.0
  Cu  Cu3  1  0.0  0.0  0.21  1.0

data_LaCu2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.93
_cell_length_b   5.82
_cell_length_c   6.45
_cell_angle_alpha   116.83
_cell_angle_beta   107.73
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LaCu2
_chemical_formula_sum   'La2 Cu4'
_cell_volume   123.67
_cell_formula_units_Z   2
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  0.13  0.17  0.13  1.0
  La  La1  1  0.42  0.34  0.34  1.0
  Cu  Cu2  1  -0.0  0.68  0.68  1.0
  Cu  Cu3  1  -0.0  0.14  0.14  1.0
  Cu  Cu4  1  0.4  0.4  0.4  1.0
  Cu  Cu5  1  0.79  0.79  0.79  1.0

La La Cu Cu Cu Cu