data_ZrBePd2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.95
_cell_length_b   2.95
_cell_length_c   6.97
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   91.17
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ZrBePd2
_chemical_formula_sum   'Zr1 Be1 Pd2'
_cell_volume   60.67
_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
  Zr  Zr3  1  0.07  0.0  0.33  1.0
  Be  Be0  1  0.0  0.0  0.41  1.0
  Pd  Pd1  1  0.07  0.0  0.35  1.0
  Pd  Pd2  1  0.0  0.0  0.35  1.0

data_ZrBePd2
_symmetry_space_group_name_H-M   Pm
_cell_length_a   2.95
_cell_length_b   2.95
_cell_length_c   6.97
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   6
_chemical_formula_structural   ZrBePd2
_chemical_formula_sum   'Zr1 Be1 Pd2'
_cell_volume   60.68
_cell_formula_units_Z   1
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  '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
  Zr  Zr0  1  0.07  0.0  0.33  1.0
  Be  Be1  1  0.0  0.0  0.41  1.0
  Pd  Pd2  1  0.0  0.0  0.35  1.0
  Pd  Pd3  1  0.07  0.0  0.35  1.0

Zr Be Pd Pd
Zr Be Pd Pd 0 2 o o o 1 3 o o o 1 2 o o o 2 3 o o o 