# generated using pymatgen
data_MnTlO3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.46307557
_cell_length_b   6.46307557
_cell_length_c   6.46307597
_cell_angle_alpha   47.77813675
_cell_angle_beta   47.77813675
_cell_angle_gamma   47.77813151
_symmetry_Int_Tables_number   1
_chemical_formula_structural   MnTlO3
_chemical_formula_sum   'Mn2 Tl2 O6'
_cell_volume   135.57096357
_cell_formula_units_Z   2
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  0.66470300  0.66470300  0.66470300  1.0
  Mn  Mn1  1  0.33529700  0.33529700  0.33529700  1.0
  Tl  Tl2  1  0.87480700  0.87480700  0.87480700  1.0
  Tl  Tl3  1  0.12519300  0.12519300  0.12519300  1.0
  O  O4  1  0.94045200  0.32243100  0.54943100  1.0
  O  O5  1  0.54943100  0.94045200  0.32243100  1.0
  O  O6  1  0.32243100  0.54943100  0.94045200  1.0
  O  O7  1  0.67756900  0.45056900  0.05954800  1.0
  O  O8  1  0.45056900  0.05954800  0.67756900  1.0
  O  O9  1  0.05954800  0.67756900  0.45056900  1.0