data_BeTl2Cl
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.56
_cell_length_b   3.56
_cell_length_c   7.84
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   103.8
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BeTl2Cl
_chemical_formula_sum   'Be1 Tl2 Cl1'
_cell_volume   96.78
_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  0.0  1.0
  Tl  Tl2  1  0.2  0.0  0.14  1.0
  Tl  Tl3  1  0.2  0.0  0.7  1.0
  Cl  Cl1  1  0.0  0.0  0.92  1.0

data_BeTl2Cl
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.56
_cell_length_b   3.56
_cell_length_c   7.84
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   103.8
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BeTl2Cl
_chemical_formula_sum   'Be1 Tl2 Cl1'
_cell_volume   96.78
_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  0.0  1.0
  Tl  Tl1  1  0.2  0.0  0.14  1.0
  Tl  Tl2  1  0.2  0.0  0.7  1.0
  Cl  Cl3  1  0.0  0.0  0.92  1.0

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