data_Ba2BeTl
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.29
_cell_length_b   6.29
_cell_length_c   6.29
_cell_angle_alpha   131.98
_cell_angle_beta   131.98
_cell_angle_gamma   70.26
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ba2BeTl
_chemical_formula_sum   'Ba2 Be1 Tl1'
_cell_volume   135.07
_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  0.15  1.0
  Ba  Ba1  1  0.0  0.56  0.57  1.0
  Be  Be2  1  0.0  0.0  0.0  1.0
  Tl  Tl3  1  0.56  0.0  0.57  1.0

data_Ba2BeTl
_symmetry_space_group_name_H-M   P1
_cell_length_a   5.12
_cell_length_b   5.12
_cell_length_c   6.29
_cell_angle_alpha   114.01
_cell_angle_beta   114.01
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ba2BeTl
_chemical_formula_sum   'Ba2 Be1 Tl1'
_cell_volume   135.07
_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  0.85  0.0  0.85  1.0
  Ba  Ba1  1  0.99  0.56  0.99  1.0
  Be  Be2  1  0.0  0.0  0.0  1.0
  Tl  Tl3  1  0.43  0.0  0.99  1.0

Ba Ba Be Tl