data_MnTl2In
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.83
_cell_length_b   5.83
_cell_length_c   5.83
_cell_angle_alpha   134.63
_cell_angle_beta   134.63
_cell_angle_gamma   66.11
_symmetry_Int_Tables_number   1
_chemical_formula_structural   MnTl2In
_chemical_formula_sum   'Mn1 Tl2 In1'
_cell_volume   98.93
_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
  Mn  Mn1  1  0.0  0.0  0.0  1.0
  Tl  Tl2  1  0.25  0.0  0.44  1.0
  Tl  Tl3  1  0.0  0.0  0.89  1.0
  In  In0  1  0.0  0.25  0.44  1.0

data_MnTl2In
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.5
_cell_length_b   4.5
_cell_length_c   5.83
_cell_angle_alpha   112.69
_cell_angle_beta   112.69
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   MnTl2In
_chemical_formula_sum   'Mn1 Tl2 In1'
_cell_volume   98.93
_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
  Mn  Mn0  1  0.0  0.0  0.0  1.0
  Tl  Tl1  1  0.11  0.0  0.11  1.0
  Tl  Tl2  1  0.56  0.0  0.81  1.0
  In  In3  1  0.81  0.25  0.81  1.0

Mn Tl Tl In