# generated using pymatgen
data_TlNiO3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.78582596
_cell_length_b   3.78582596
_cell_length_c   3.79803114
_cell_angle_alpha   89.80953029
_cell_angle_beta   89.80953029
_cell_angle_gamma   90.22610265
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TlNiO3
_chemical_formula_sum   'Tl1 Ni1 O3'
_cell_volume   54.43417079
_cell_formula_units_Z   1
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  0.99066600  0.99066600  0.99972000  1.0
  Ni  Ni1  1  0.50688700  0.50688700  0.50946400  1.0
  O  O2  1  0.50376100  0.50376100  0.01071200  1.0
  O  O3  1  0.00911200  0.53270000  0.51087000  1.0
  O  O4  1  0.53270000  0.00911200  0.51087000  1.0