data_LaP2Pd
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.82
_cell_length_b   4.82
_cell_length_c   5.91
_cell_angle_alpha   125.04
_cell_angle_beta   125.04
_cell_angle_gamma   50.36
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LaP2Pd
_chemical_formula_sum   'La1 P2 Pd1'
_cell_volume   81.81
_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  0.49  0.0  0.28  1.0
  P  P1  1  0.73  0.0  0.74  1.0
  P  P2  1  0.25  0.0  0.82  1.0
  Pd  Pd3  1  0.0  0.0  0.0  1.0

data_LaP2Pd
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.1
_cell_length_b   4.82
_cell_length_c   5.04
_cell_angle_alpha   73.5
_cell_angle_beta   65.99
_cell_angle_gamma   64.82
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LaP2Pd
_chemical_formula_sum   'La1 P2 Pd1'
_cell_volume   81.81
_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  0.21  0.28  1.0
  P  P1  1  0.0  0.43  0.82  1.0
  P  P2  1  0.0  0.99  0.74  1.0
  Pd  Pd3  1  0.0  0.0  0.0  1.0

La P P Pd