data_BaBeTl
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.72
_cell_length_b   6.72
_cell_length_c   6.72
_cell_angle_alpha   148.09
_cell_angle_beta   148.09
_cell_angle_gamma   45.75
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BaBeTl
_chemical_formula_sum   'Ba1 Be1 Tl1'
_cell_volume   84.67
_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
  Ba  Ba0  1  0.0  0.0  0.27  1.0
  Be  Be1  1  0.0  0.0  0.76  1.0
  Tl  Tl2  1  0.0  0.0  0.75  1.0

data_BaBeTl
_symmetry_space_group_name_H-M   Cm
_cell_length_a   5.23
_cell_length_b   5.23
_cell_length_c   6.72
_cell_angle_alpha   90.0
_cell_angle_beta   112.88
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   BaBeTl
_chemical_formula_sum   'Ba2 Be2 Tl2'
_cell_volume   169.34
_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
  Ba  Ba0  2  0.27  0.0  0.27  1.0
  Be  Be1  2  0.26  0.5  0.76  1.0
  Tl  Tl2  2  0.25  0.5  0.75  1.0

Ba Be Tl
Ba Be Tl 0 0 + o + 0 0 o + + 0 2 - o - 0 2 o - - 0 2 o o - 0 2 o o o 0 1 o o - 0 1 o o o 1 2 o o o 