data_BeTl2Ru
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.2
_cell_length_b   3.2
_cell_length_c   7.54
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BeTl2Ru
_chemical_formula_sum   'Be1 Tl2 Ru1'
_cell_volume   77.24
_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  0.46  1.0
  Tl  Tl2  1  0.0  0.0  0.09  1.0
  Tl  Tl3  1  0.6  0.6  0.23  1.0
  Ru  Ru1  1  0.6  0.6  0.07  1.0

data_BeTl2Ru
_symmetry_space_group_name_H-M   Cm
_cell_length_a   4.53
_cell_length_b   4.53
_cell_length_c   7.54
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   BeTl2Ru
_chemical_formula_sum   'Be2 Tl4 Ru2'
_cell_volume   154.49
_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  0.46  1.0
  Tl  Tl1  2  0.0  0.0  0.09  1.0
  Tl  Tl2  2  0.1  0.5  0.23  1.0
  Ru  Ru3  2  0.1  0.5  0.07  1.0

Be Tl Tl Ru
Be Tl Tl Ru 0 2 - - o 0 2 - o o 0 2 o - o 0 2 o o o 0 0 + o o 0 0 o + o 0 1 o o o 1 3 - - o 1 3 - o o 1 3 o - o 1 2 - - o 2 3 o o o 