data_LaAs2Pd
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.9
_cell_length_b   4.9
_cell_length_c   6.04
_cell_angle_alpha   123.55
_cell_angle_beta   123.55
_cell_angle_gamma   52.13
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LaAs2Pd
_chemical_formula_sum   'La1 As2 Pd1'
_cell_volume   90.06
_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  0.54  0.0  0.38  1.0
  As  As0  1  0.4  0.0  0.88  1.0
  As  As1  1  0.69  0.0  0.88  1.0
  Pd  Pd3  1  0.0  0.0  0.0  1.0

data_LaAs2Pd
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.3
_cell_length_b   4.9
_cell_length_c   5.27
_cell_angle_alpha   72.76
_cell_angle_beta   65.89
_cell_angle_gamma   63.94
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LaAs2Pd
_chemical_formula_sum   'La1 As2 Pd1'
_cell_volume   90.06
_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  0.16  0.38  1.0
  As  As1  1  0.0  0.52  0.88  1.0
  As  As2  1  0.0  0.81  0.88  1.0
  Pd  Pd3  1  0.0  0.0  0.0  1.0

La As As Pd
La As As Pd 0 3 o o o 0 1 o o - 0 2 o o o 1 2 o o o 2 3 + o + 