data_LiCrPd
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.51
_cell_length_b   4.51
_cell_length_c   4.51
_cell_angle_alpha   146.39
_cell_angle_beta   128.76
_cell_angle_gamma   62.69
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LiCrPd
_chemical_formula_sum   'Li1 Cr1 Pd1'
_cell_volume   39.18
_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
  Li  Li1  1  0.0  0.0  0.16  1.0
  Cr  Cr0  1  0.0  0.0  0.68  1.0
  Pd  Pd2  1  0.0  0.0  0.57  1.0

data_LiCrPd
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.61
_cell_length_b   3.9
_cell_length_c   4.51
_cell_angle_alpha   115.62
_cell_angle_beta   106.8
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LiCrPd
_chemical_formula_sum   'Li1 Cr1 Pd1'
_cell_volume   39.18
_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
  Li  Li0  1  0.84  0.84  0.84  1.0
  Cr  Cr1  1  0.32  0.32  0.32  1.0
  Pd  Pd2  1  0.43  0.43  0.43  1.0

Li Cr Pd
Li Cr Pd 0 1 o o - 0 1 o o o 0 2 o o o 1 2 o o o 