data_BeTlPd2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.18
_cell_length_b   3.18
_cell_length_c   6.52
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BeTlPd2
_chemical_formula_sum   'Be1 Tl1 Pd2'
_cell_volume   66.02
_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  0.56  1.0
  Tl  Tl3  1  0.59  0.59  0.23  1.0
  Pd  Pd1  1  0.59  0.59  0.08  1.0
  Pd  Pd2  1  0.0  0.0  0.42  1.0

data_BeTlPd2
_symmetry_space_group_name_H-M   Cm
_cell_length_a   4.5
_cell_length_b   4.5
_cell_length_c   6.52
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   BeTlPd2
_chemical_formula_sum   'Be2 Tl2 Pd4'
_cell_volume   132.04
_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  0.56  1.0
  Tl  Tl1  2  0.09  0.5  0.23  1.0
  Pd  Pd2  2  0.0  0.0  0.42  1.0
  Pd  Pd3  2  0.09  0.5  0.08  1.0

Be Tl Pd Pd
Be Tl Pd Pd 0 3 o o o 1 2 o o o 