data_Ca2AsPd
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.41
_cell_length_b   5.68
_cell_length_c   5.68
_cell_angle_alpha   43.49
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ca2AsPd
_chemical_formula_sum   'Ca2 As1 Pd1'
_cell_volume   97.87
_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
  Ca  Ca1  1  0.0  0.0  0.16  1.0
  Ca  Ca2  1  0.21  0.0  0.76  1.0
  As  As0  1  0.0  0.0  0.24  1.0
  Pd  Pd3  1  0.21  0.0  0.66  1.0

data_Ca2AsPd
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.21
_cell_length_b   4.41
_cell_length_c   5.68
_cell_angle_alpha   90.0
_cell_angle_beta   111.75
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ca2AsPd
_chemical_formula_sum   'Ca2 As1 Pd1'
_cell_volume   97.87
_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
  Ca  Ca0  1  0.24  0.21  0.24  1.0
  Ca  Ca1  1  0.84  0.0  0.84  1.0
  As  As2  1  0.76  0.0  0.76  1.0
  Pd  Pd3  1  0.34  0.21  0.34  1.0

Ca Ca As Pd