# generated using pymatgen
data_MnTlO3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.13181426
_cell_length_b   6.13181426
_cell_length_c   12.01344400
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   120.00000285
_symmetry_Int_Tables_number   1
_chemical_formula_structural   MnTlO3
_chemical_formula_sum   'Mn6 Tl6 O18'
_cell_volume   391.17953872
_cell_formula_units_Z   6
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  0.66511200  0.49356200  1.0
  Mn  Mn1  1  0.00000000  0.33488800  0.99356200  1.0
  Mn  Mn2  1  0.33488800  0.33488800  0.49356200  1.0
  Mn  Mn3  1  0.33488800  0.00000000  0.99356200  1.0
  Mn  Mn4  1  0.66511200  0.66511200  0.99356200  1.0
  Mn  Mn5  1  0.66511200  0.00000000  0.49356200  1.0
  Tl  Tl6  1  0.33333300  0.66666700  0.23320000  1.0
  Tl  Tl7  1  0.00000000  0.00000000  0.26392700  1.0
  Tl  Tl8  1  0.00000000  0.00000000  0.76392700  1.0
  Tl  Tl9  1  0.33333300  0.66666700  0.73320000  1.0
  Tl  Tl10  1  0.66666700  0.33333300  0.73320000  1.0
  Tl  Tl11  1  0.66666700  0.33333300  0.23320000  1.0
  O  O12  1  0.00000000  0.68305900  0.65522900  1.0
  O  O13  1  0.00000000  0.64926300  0.33211100  1.0
  O  O14  1  0.00000000  0.35073700  0.83211100  1.0
  O  O15  1  0.00000000  0.31694100  0.15522900  1.0
  O  O16  1  0.33333300  0.66666700  0.00229400  1.0
  O  O17  1  0.00000000  0.00000000  0.47763900  1.0
  O  O18  1  0.00000000  0.00000000  0.97763900  1.0
  O  O19  1  0.33333300  0.66666700  0.50229400  1.0
  O  O20  1  0.31694100  0.31694100  0.65522900  1.0
  O  O21  1  0.35073700  0.35073700  0.33211100  1.0
  O  O22  1  0.31694100  0.00000000  0.15522900  1.0
  O  O23  1  0.64926300  0.64926300  0.83211100  1.0
  O  O24  1  0.35073700  0.00000000  0.83211100  1.0
  O  O25  1  0.68305900  0.68305900  0.15522900  1.0
  O  O26  1  0.66666700  0.33333300  0.50229400  1.0
  O  O27  1  0.66666700  0.33333300  0.00229400  1.0
  O  O28  1  0.64926300  0.00000000  0.33211100  1.0
  O  O29  1  0.68305900  0.00000000  0.65522900  1.0