data_BeAsPd
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.51
_cell_length_b   5.51
_cell_length_c   5.51
_cell_angle_alpha   149.69
_cell_angle_beta   149.69
_cell_angle_gamma   43.39
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BeAsPd
_chemical_formula_sum   'Be1 As1 Pd1'
_cell_volume   42.57
_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
  Be  Be1  1  0.0  0.0  0.25  1.0
  As  As0  1  0.0  0.0  0.1  1.0
  Pd  Pd2  1  0.0  0.0  0.14  1.0

data_BeAsPd
_symmetry_space_group_name_H-M   Cm
_cell_length_a   4.08
_cell_length_b   4.08
_cell_length_c   5.51
_cell_angle_alpha   90.0
_cell_angle_beta   111.7
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   BeAsPd
_chemical_formula_sum   'Be2 As2 Pd2'
_cell_volume   85.15
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  'x, -y, z'
  3  'x+1/2, y+1/2, z'
  4  'x+1/2, -y+1/2, 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
  Be  Be0  2  0.0  0.0  0.75  1.0
  As  As1  2  0.0  0.0  0.9  1.0
  Pd  Pd2  2  0.0  0.0  0.86  1.0

Be As Pd
Be As Pd 0 2 o o o 1 2 o o o 