data_Be2VPd
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.68
_cell_length_b   2.68
_cell_length_c   6.05
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   93.98
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Be2VPd
_chemical_formula_sum   'Be2 V1 Pd1'
_cell_volume   43.23
_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  0.83  0.0  0.59  1.0
  Be  Be1  1  0.83  0.0  0.47  1.0
  V  V3  1  0.0  0.0  0.0  1.0
  Pd  Pd2  1  0.0  0.0  0.03  1.0

data_Be2VPd
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.68
_cell_length_b   2.68
_cell_length_c   6.05
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   93.98
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Be2VPd
_chemical_formula_sum   'Be2 V1 Pd1'
_cell_volume   43.23
_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  0.83  0.0  0.47  1.0
  Be  Be1  1  0.83  0.0  0.59  1.0
  V  V2  1  0.0  0.0  0.0  1.0
  Pd  Pd3  1  0.0  0.0  0.03  1.0

Be Be V Pd
Be Be V Pd 0 1 o o o 2 3 o o o 