data_BeTlSi2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.02
_cell_length_b   4.02
_cell_length_c   6.39
_cell_angle_alpha   107.97
_cell_angle_beta   107.97
_cell_angle_gamma   54.03
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BeTlSi2
_chemical_formula_sum   'Be1 Tl1 Si2'
_cell_volume   78.4
_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  0.11  0.0  0.43  1.0
  Tl  Tl3  1  0.21  0.0  0.92  1.0
  Si  Si1  1  0.17  0.0  0.5  1.0
  Si  Si2  1  0.93  0.0  0.13  1.0

data_BeTlSi2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.65
_cell_length_b   4.02
_cell_length_c   6.39
_cell_angle_alpha   107.97
_cell_angle_beta   90.0
_cell_angle_gamma   117.01
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BeTlSi2
_chemical_formula_sum   'Be1 Tl1 Si2'
_cell_volume   78.4
_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  0.89  0.57  1.0
  Tl  Tl1  1  0.0  0.79  0.08  1.0
  Si  Si2  1  0.0  0.07  0.87  1.0
  Si  Si3  1  0.0  0.83  0.5  1.0

Be Tl Si Si