data_BeNiPd
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.0
_cell_length_b   5.0
_cell_length_c   5.0
_cell_angle_alpha   148.65
_cell_angle_beta   148.65
_cell_angle_gamma   44.93
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BeNiPd
_chemical_formula_sum   'Be1 Ni1 Pd1'
_cell_volume   33.65
_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  Be0  1  0.0  0.0  0.16  1.0
  Ni  Ni1  1  0.0  0.0  0.3  1.0
  Pd  Pd2  1  0.0  0.0  0.02  1.0

data_BeNiPd
_symmetry_space_group_name_H-M   Cm
_cell_length_a   3.82
_cell_length_b   3.82
_cell_length_c   5.0
_cell_angle_alpha   90.0
_cell_angle_beta   112.46
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   BeNiPd
_chemical_formula_sum   'Be2 Ni2 Pd2'
_cell_volume   67.3
_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  0.16  0.0  0.16  1.0
  Ni  Ni1  2  0.3  0.0  0.3  1.0
  Pd  Pd2  2  0.02  0.0  0.02  1.0

Be Ni Pd