# generated using pymatgen
data_TlNiO3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.37748955
_cell_length_b   5.37748955
_cell_length_c   5.37748953
_cell_angle_alpha   59.74406927
_cell_angle_beta   59.74406927
_cell_angle_gamma   59.74407030
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TlNiO3
_chemical_formula_sum   'Tl2 Ni2 O6'
_cell_volume   109.31815844
_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
  Tl  Tl0  1  0.26952000  0.26952000  0.26952000  1.0
  Tl  Tl1  1  0.76952000  0.76952000  0.76952000  1.0
  Ni  Ni2  1  0.00598600  0.00598600  0.00598600  1.0
  Ni  Ni3  1  0.50598600  0.50598600  0.50598600  1.0
  O  O4  1  0.84742400  0.24300600  0.66256300  1.0
  O  O5  1  0.66256300  0.84742400  0.24300600  1.0
  O  O6  1  0.24300600  0.66256300  0.84742400  1.0
  O  O7  1  0.34742400  0.16256300  0.74300600  1.0
  O  O8  1  0.16256300  0.74300600  0.34742400  1.0
  O  O9  1  0.74300600  0.34742400  0.16256300  1.0