data_BeIr2Pd
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.71
_cell_length_b   2.71
_cell_length_c   8.5
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   119.51
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BeIr2Pd
_chemical_formula_sum   'Be1 Ir2 Pd1'
_cell_volume   54.51
_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  0.12  1.0
  Ir  Ir1  1  0.37  0.0  0.26  1.0
  Ir  Ir2  1  0.0  0.0  0.41  1.0
  Pd  Pd3  1  0.37  0.0  0.96  1.0

data_BeIr2Pd
_symmetry_space_group_name_H-M   Cm
_cell_length_a   2.71
_cell_length_b   4.72
_cell_length_c   8.5
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   BeIr2Pd
_chemical_formula_sum   'Be2 Ir4 Pd2'
_cell_volume   109.02
_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  0.12  1.0
  Ir  Ir1  2  0.0  0.0  0.41  1.0
  Ir  Ir2  2  0.37  0.0  0.26  1.0
  Pd  Pd3  2  0.37  0.0  0.96  1.0

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