data_LaCu2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.28
_cell_length_b   8.28
_cell_length_c   8.28
_cell_angle_alpha   152.04
_cell_angle_beta   152.04
_cell_angle_gamma   39.96
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LaCu2
_chemical_formula_sum   'La2 Cu4'
_cell_volume   124.53
_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  0.0  0.0  1.0
  La  La5  1  0.0  0.0  0.89  1.0
  Cu  Cu0  1  0.0  0.0  0.53  1.0
  Cu  Cu1  1  0.0  0.0  0.14  1.0
  Cu  Cu2  1  0.0  0.0  0.03  1.0
  Cu  Cu3  1  0.0  0.0  0.64  1.0

data_LaCu2
_symmetry_space_group_name_H-M   Cm
_cell_length_a   5.66
_cell_length_b   5.66
_cell_length_c   8.28
_cell_angle_alpha   90.0
_cell_angle_beta   109.98
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   LaCu2
_chemical_formula_sum   'La4 Cu8'
_cell_volume   249.06
_cell_formula_units_Z   4
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  0.0  1.0
  La  La1  2  0.0  0.0  0.11  1.0
  Cu  Cu2  2  0.0  0.0  0.47  1.0
  Cu  Cu3  2  0.0  0.0  0.97  1.0
  Cu  Cu4  2  0.0  0.0  0.36  1.0
  Cu  Cu5  2  0.0  0.0  0.86  1.0

La La Cu Cu Cu Cu