data_LaCuPd
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.25
_cell_length_b   5.25
_cell_length_c   5.25
_cell_angle_alpha   138.8
_cell_angle_beta   137.62
_cell_angle_gamma   60.59
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LaCuPd
_chemical_formula_sum   'La1 Cu1 Pd1'
_cell_volume   63.67
_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  La1  1  0.0  0.0  0.06  1.0
  Cu  Cu0  1  0.0  0.0  1.0  1.0
  Pd  Pd2  1  0.0  0.0  0.09  1.0

data_LaCuPd
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.7
_cell_length_b   3.8
_cell_length_c   5.25
_cell_angle_alpha   111.19
_cell_angle_beta   110.6
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LaCuPd
_chemical_formula_sum   'La1 Cu1 Pd1'
_cell_volume   63.67
_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  0.94  0.94  0.94  1.0
  Cu  Cu1  1  0.0  0.0  0.0  1.0
  Pd  Pd2  1  0.91  0.91  0.91  1.0

La Cu Pd
La Cu Pd 0 2 o o o 0 1 o o - 