# generated using pymatgen
data_TmNiO3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.08094633
_cell_length_b   5.49113582
_cell_length_c   7.30375113
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TmNiO3
_chemical_formula_sum   'Tm4 Ni4 O12'
_cell_volume   203.77587181
_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
  Tm  Tm0  1  0.52268181  0.57967338  0.75000000  1.0
  Tm  Tm1  1  0.02268181  0.92032662  0.25000000  1.0
  Tm  Tm2  1  0.47731819  0.42032662  0.25000000  1.0
  Tm  Tm3  1  0.97731819  0.07967338  0.75000000  1.0
  Ni  Ni4  1  0.00000000  0.50000000  0.00000000  1.0
  Ni  Ni5  1  0.50000000  0.00000000  0.50000000  1.0
  Ni  Ni6  1  0.00000000  0.50000000  0.50000000  1.0
  Ni  Ni7  1  0.50000000  0.00000000  0.00000000  1.0
  O  O8  1  0.39070281  0.96636166  0.75000000  1.0
  O  O9  1  0.89070281  0.53363834  0.25000000  1.0
  O  O10  1  0.60929719  0.03363834  0.25000000  1.0
  O  O11  1  0.10929719  0.46636166  0.75000000  1.0
  O  O12  1  0.80899234  0.80703070  0.94611912  1.0
  O  O13  1  0.30899234  0.69296930  0.44611912  1.0
  O  O14  1  0.19100766  0.19296930  0.05388088  1.0
  O  O15  1  0.69100766  0.30703070  0.55388088  1.0
  O  O16  1  0.30899234  0.69296930  0.05388088  1.0
  O  O17  1  0.80899234  0.80703070  0.55388088  1.0
  O  O18  1  0.69100766  0.30703070  0.94611912  1.0
  O  O19  1  0.19100766  0.19296930  0.44611912  1.0