data_LaCo2Cu
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.25
_cell_length_b   4.25
_cell_length_c   5.26
_cell_angle_alpha   110.75
_cell_angle_beta   110.75
_cell_angle_gamma   55.39
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LaCo2Cu
_chemical_formula_sum   'La1 Co2 Cu1'
_cell_volume   71.59
_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  0.71  0.0  0.41  1.0
  Co  Co0  1  0.32  0.0  0.55  1.0
  Co  Co1  1  0.1  0.0  0.27  1.0
  Cu  Cu2  1  0.0  0.0  0.0  1.0

data_LaCo2Cu
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.95
_cell_length_b   4.25
_cell_length_c   5.26
_cell_angle_alpha   110.75
_cell_angle_beta   90.0
_cell_angle_gamma   117.7
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LaCo2Cu
_chemical_formula_sum   'La1 Co2 Cu1'
_cell_volume   71.59
_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  0.0  0.29  0.59  1.0
  Co  Co1  1  0.0  0.68  0.45  1.0
  Co  Co2  1  0.0  0.9  0.73  1.0
  Cu  Cu3  1  0.0  0.0  0.0  1.0

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