data_Be2CoPd
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.69
_cell_length_b   4.69
_cell_length_c   4.69
_cell_angle_alpha   146.09
_cell_angle_beta   132.96
_cell_angle_gamma   59.25
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Be2CoPd
_chemical_formula_sum   'Be2 Co1 Pd1'
_cell_volume   41.63
_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  0.05  1.0
  Be  Be1  1  0.37  0.0  0.02  1.0
  Co  Co2  1  0.0  0.0  0.99  1.0
  Pd  Pd3  1  0.0  0.87  0.09  1.0

data_Be2CoPd
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.73
_cell_length_b   3.74
_cell_length_c   4.69
_cell_angle_alpha   113.52
_cell_angle_beta   106.95
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Be2CoPd
_chemical_formula_sum   'Be2 Co1 Pd1'
_cell_volume   41.63
_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  0.35  0.98  0.35  1.0
  Be  Be1  1  0.95  0.95  0.95  1.0
  Co  Co2  1  0.01  0.01  0.01  1.0
  Pd  Pd3  1  0.91  0.78  0.78  1.0

Be Be Co Pd
Be Be Co Pd 0 2 o o - 0 1 o o o 0 3 o - o 1 2 o o - 