data_LaMgTl2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.21
_cell_length_b   5.21
_cell_length_c   6.41
_cell_angle_alpha   104.04
_cell_angle_beta   104.04
_cell_angle_gamma   44.5
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LaMgTl2
_chemical_formula_sum   'La1 Mg1 Tl2'
_cell_volume   117.83
_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
  La  La0  1  0.99  0.0  0.09  1.0
  Mg  Mg1  1  0.0  0.0  0.0  1.0
  Tl  Tl2  1  0.78  0.0  0.29  1.0
  Tl  Tl3  1  0.19  0.0  0.89  1.0

data_LaMgTl2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.95
_cell_length_b   5.21
_cell_length_c   6.41
_cell_angle_alpha   104.04
_cell_angle_beta   90.0
_cell_angle_gamma   112.25
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LaMgTl2
_chemical_formula_sum   'La1 Mg1 Tl2'
_cell_volume   117.83
_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
  La  La0  1  0.0  0.01  0.91  1.0
  Mg  Mg1  1  0.0  0.0  0.0  1.0
  Tl  Tl2  1  0.0  0.22  0.71  1.0
  Tl  Tl3  1  0.0  0.81  0.11  1.0

La Mg Tl Tl