data_MgTlIn2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.84
_cell_length_b   5.84
_cell_length_c   5.67
_cell_angle_alpha   100.16
_cell_angle_beta   100.16
_cell_angle_gamma   33.82
_symmetry_Int_Tables_number   1
_chemical_formula_structural   MgTlIn2
_chemical_formula_sum   'Mg1 Tl1 In2'
_cell_volume   105.81
_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
  Mg  Mg2  1  0.04  0.0  0.77  1.0
  Tl  Tl3  1  0.95  0.0  0.14  1.0
  In  In0  1  0.02  0.0  0.04  1.0
  In  In1  1  0.19  0.0  0.41  1.0

data_MgTlIn2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.4
_cell_length_b   5.67
_cell_length_c   5.84
_cell_angle_alpha   100.16
_cell_angle_beta   106.91
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   MgTlIn2
_chemical_formula_sum   'Mg1 Tl1 In2'
_cell_volume   105.81
_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
  Mg  Mg0  1  0.0  0.77  0.04  1.0
  Tl  Tl1  1  0.0  0.14  0.95  1.0
  In  In2  1  0.0  0.04  0.02  1.0
  In  In3  1  0.0  0.41  0.19  1.0

Mg Tl In In