data_BeTl2Cl
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.61
_cell_length_b   3.61
_cell_length_c   10.34
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   126.98
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BeTl2Cl
_chemical_formula_sum   'Be1 Tl2 Cl1'
_cell_volume   107.94
_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  0.92  1.0
  Tl  Tl2  1  0.0  0.0  0.16  1.0
  Tl  Tl3  1  0.61  0.0  0.16  1.0
  Cl  Cl1  1  0.61  0.0  0.61  1.0

data_BeTl2Cl
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.23
_cell_length_b   3.61
_cell_length_c   10.34
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   116.51
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BeTl2Cl
_chemical_formula_sum   'Be1 Tl2 Cl1'
_cell_volume   107.94
_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  0.92  1.0
  Tl  Tl1  1  0.0  0.0  0.16  1.0
  Tl  Tl2  1  0.0  0.61  0.16  1.0
  Cl  Cl3  1  0.0  0.61  0.61  1.0

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