data_LaCr2Pd
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.66
_cell_length_b   4.66
_cell_length_c   4.66
_cell_angle_alpha   120.89
_cell_angle_beta   120.89
_cell_angle_gamma   88.47
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LaCr2Pd
_chemical_formula_sum   'La1 Cr2 Pd1'
_cell_volume   70.48
_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  0.3  0.0  0.67  1.0
  Cr  Cr0  1  0.0  0.3  0.67  1.0
  Cr  Cr1  1  0.0  0.0  0.0  1.0
  Pd  Pd3  1  0.0  0.0  0.34  1.0

data_LaCr2Pd
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.6
_cell_length_b   4.6
_cell_length_c   4.66
_cell_angle_alpha   119.56
_cell_angle_beta   119.56
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LaCr2Pd
_chemical_formula_sum   'La1 Cr2 Pd1'
_cell_volume   70.48
_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  0.33  0.0  0.63  1.0
  Cr  Cr1  1  0.0  0.0  0.0  1.0
  Cr  Cr2  1  0.63  0.3  0.63  1.0
  Pd  Pd3  1  0.66  0.0  0.66  1.0

La Cr Cr Pd