data_BeTlGa2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.37
_cell_length_b   5.37
_cell_length_c   5.37
_cell_angle_alpha   142.66
_cell_angle_beta   121.6
_cell_angle_gamma   71.4
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BeTlGa2
_chemical_formula_sum   'Be1 Tl1 Ga2'
_cell_volume   78.43
_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  0.74  1.0
  Tl  Tl3  1  0.0  0.62  0.23  1.0
  Ga  Ga1  1  0.0  0.62  0.09  1.0
  Ga  Ga2  1  0.0  0.0  0.02  1.0

data_BeTlGa2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.44
_cell_length_b   5.24
_cell_length_c   5.37
_cell_angle_alpha   119.2
_cell_angle_beta   108.67
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BeTlGa2
_chemical_formula_sum   'Be1 Tl1 Ga2'
_cell_volume   78.43
_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  0.74  0.74  1.0
  Tl  Tl1  1  0.38  0.61  0.61  1.0
  Ga  Ga2  1  0.0  0.02  0.02  1.0
  Ga  Ga3  1  0.38  0.47  0.47  1.0

Be Tl Ga Ga