data_Be2TlSi
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.07
_cell_length_b   3.07
_cell_length_c   6.93
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Be2TlSi
_chemical_formula_sum   'Be2 Tl1 Si1'
_cell_volume   65.2
_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  0.53  0.53  0.82  1.0
  Be  Be1  1  0.53  0.53  0.1  1.0
  Tl  Tl3  1  0.0  0.0  0.46  1.0
  Si  Si2  1  0.0  0.0  0.0  1.0

data_Be2TlSi
_symmetry_space_group_name_H-M   Cm
_cell_length_a   4.34
_cell_length_b   4.34
_cell_length_c   6.93
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   Be2TlSi
_chemical_formula_sum   'Be4 Tl2 Si2'
_cell_volume   130.41
_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  0.03  0.5  0.1  1.0
  Be  Be1  2  0.03  0.5  0.82  1.0
  Tl  Tl2  2  0.0  0.0  0.46  1.0
  Si  Si3  2  0.0  0.0  0.0  1.0

Be Be Tl Si
Be Be Tl Si 0 3 o + + 0 3 + o + 0 3 + + + 0 3 o o + 0 1 o o + 0 2 + + o 0 2 + o o 0 2 o + o 0 2 o o o 1 3 o o o 1 3 o + o 1 3 + o o 1 3 + + o 1 2 + + o 1 2 + o o 1 2 o + o 1 2 o o o 2 2 + o o 2 2 o + o 2 3 o o o 2 3 o o + 