# generated using pymatgen
data_MnTlI3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.32292800
_cell_length_b   10.24003600
_cell_length_c   16.43102100
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   MnTlI3
_chemical_formula_sum   'Mn4 Tl4 I12'
_cell_volume   727.35099356
_cell_formula_units_Z   4
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  0.25000000  0.16208500  0.05579400  1.0
  Mn  Mn1  1  0.75000000  0.83791500  0.94420600  1.0
  Mn  Mn2  1  0.25000000  0.66208500  0.44420600  1.0
  Mn  Mn3  1  0.75000000  0.33791500  0.55579400  1.0
  Tl  Tl4  1  0.25000000  0.44366900  0.82473200  1.0
  Tl  Tl5  1  0.75000000  0.55633100  0.17526800  1.0
  Tl  Tl6  1  0.25000000  0.94366900  0.67526800  1.0
  Tl  Tl7  1  0.75000000  0.05633100  0.32473200  1.0
  I  I8  1  0.75000000  0.47997400  0.39782100  1.0
  I  I9  1  0.25000000  0.52002600  0.60217900  1.0
  I  I10  1  0.75000000  0.97997400  0.10217900  1.0
  I  I11  1  0.25000000  0.02002600  0.89782100  1.0
  I  I12  1  0.75000000  0.21958300  0.70998200  1.0
  I  I13  1  0.25000000  0.78041700  0.29001800  1.0
  I  I14  1  0.75000000  0.71958300  0.79001800  1.0
  I  I15  1  0.25000000  0.28041700  0.20998200  1.0
  I  I16  1  0.75000000  0.32699200  0.99439300  1.0
  I  I17  1  0.25000000  0.67300800  0.00560700  1.0
  I  I18  1  0.75000000  0.82699200  0.50560700  1.0
  I  I19  1  0.25000000  0.17300800  0.49439300  1.0