data_BeHgPd2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.24
_cell_length_b   3.24
_cell_length_c   7.23
_cell_angle_alpha   102.54
_cell_angle_beta   102.54
_cell_angle_gamma   58.8
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BeHgPd2
_chemical_formula_sum   'Be1 Hg1 Pd2'
_cell_volume   62.91
_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  0.0  1.0
  Hg  Hg1  1  0.92  0.0  0.5  1.0
  Pd  Pd2  1  0.05  0.0  0.74  1.0
  Pd  Pd3  1  0.8  0.0  0.27  1.0

data_BeHgPd2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.18
_cell_length_b   3.24
_cell_length_c   7.23
_cell_angle_alpha   102.54
_cell_angle_beta   90.0
_cell_angle_gamma   119.4
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BeHgPd2
_chemical_formula_sum   'Be1 Hg1 Pd2'
_cell_volume   62.91
_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  0.0  1.0
  Hg  Hg1  1  0.0  0.08  0.5  1.0
  Pd  Pd2  1  0.0  0.2  0.73  1.0
  Pd  Pd3  1  0.0  0.95  0.26  1.0

Be Hg Pd Pd