data_La2CoCu
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.64
_cell_length_b   4.78
_cell_length_c   5.13
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   La2CoCu
_chemical_formula_sum   'La2 Co1 Cu1'
_cell_volume   89.51
_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  La2  1  0.82  0.39  0.0  1.0
  La  La3  1  0.82  0.0  0.57  1.0
  Co  Co0  1  0.0  0.0  0.0  1.0
  Cu  Cu1  1  0.0  0.39  0.57  1.0

data_La2CoCu
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.64
_cell_length_b   4.78
_cell_length_c   5.13
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   La2CoCu
_chemical_formula_sum   'La2 Co1 Cu1'
_cell_volume   89.51
_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  0.82  0.0  0.57  1.0
  La  La1  1  0.82  0.39  0.0  1.0
  Co  Co2  1  0.0  0.0  0.0  1.0
  Cu  Cu3  1  0.0  0.39  0.57  1.0

La La Co Cu
La La Co Cu 0 2 + o o 0 3 + o - 1 2 + o + 1 3 + o o 