[CIF]
data_MnTl2Se
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.90180980
_cell_length_b   4.32097808
_cell_length_c   6.03809370
_cell_angle_alpha   90.00000000
_cell_angle_beta   102.94893635
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   MnTl2Se
_chemical_formula_sum   'Mn1 Tl2 Se1'
_cell_volume   99.21129456
_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  0.00000000  0.00000000  0.00000000  1
  Se  Se1  1  -0.67651580  0.00000000  2.94227297  1
  Tl  Tl2  1  1.09135996  2.16048904  4.44011829  1
  Tl  Tl3  1  1.45741823  2.16048904  1.44442765  1
[/CIF]
