# generated using pymatgen
data_MnTlO3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.42177400
_cell_length_b   5.56038700
_cell_length_c   7.96530400
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   MnTlO3
_chemical_formula_sum   'Mn4 Tl4 O12'
_cell_volume   240.13130741
_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  0.50000000  0.00000000  0.50000000  1.0
  Mn  Mn1  1  0.50000000  0.00000000  0.00000000  1.0
  Mn  Mn2  1  0.00000000  0.50000000  0.50000000  1.0
  Mn  Mn3  1  0.00000000  0.50000000  0.00000000  1.0
  Tl  Tl4  1  0.98465100  0.04942600  0.75000000  1.0
  Tl  Tl5  1  0.48465100  0.45057400  0.25000000  1.0
  Tl  Tl6  1  0.51534900  0.54942600  0.75000000  1.0
  Tl  Tl7  1  0.01534900  0.95057400  0.25000000  1.0
  O  O8  1  0.60854900  0.05161300  0.25000000  1.0
  O  O9  1  0.19758600  0.19697400  0.05872800  1.0
  O  O10  1  0.19758600  0.19697400  0.44127200  1.0
  O  O11  1  0.69758600  0.30302600  0.55872800  1.0
  O  O12  1  0.69758600  0.30302600  0.94127200  1.0
  O  O13  1  0.10854900  0.44838700  0.75000000  1.0
  O  O14  1  0.89145100  0.55161300  0.25000000  1.0
  O  O15  1  0.30241400  0.69697400  0.44127200  1.0
  O  O16  1  0.30241400  0.69697400  0.05872800  1.0
  O  O17  1  0.80241400  0.80302600  0.55872800  1.0
  O  O18  1  0.80241400  0.80302600  0.94127200  1.0
  O  O19  1  0.39145100  0.94838700  0.75000000  1.0