# generated using pymatgen
data_TmNiO3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.53103500
_cell_length_b   5.15877200
_cell_length_c   9.01167326
_cell_angle_alpha   55.34947931
_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   211.52687155
_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  0.57786600  0.72788500  0.75083700  1.0
  Tm  Tm1  1  0.92213400  0.72788500  0.25083700  1.0
  Tm  Tm2  1  0.42213400  0.27211500  0.24916300  1.0
  Tm  Tm3  1  0.07786600  0.27211500  0.74916300  1.0
  Ni  Ni4  1  0.50000000  0.50000000  0.50000000  1.0
  Ni  Ni5  1  0.00000000  0.50000000  0.00000000  1.0
  Ni  Ni6  1  0.50000000  0.00000000  0.00000000  1.0
  Ni  Ni7  1  0.00000000  0.00000000  0.50000000  1.0
  O  O8  1  0.96222600  0.86806300  0.74413900  1.0
  O  O9  1  0.53777400  0.86806300  0.24413900  1.0
  O  O10  1  0.03777400  0.13193700  0.25586100  1.0
  O  O11  1  0.46222600  0.13193700  0.75586100  1.0
  O  O12  1  0.81304600  0.64325300  0.55416000  1.0
  O  O13  1  0.68695400  0.64325300  0.05416000  1.0
  O  O14  1  0.18695400  0.35674700  0.44584000  1.0
  O  O15  1  0.31304600  0.35674700  0.94584000  1.0
  O  O16  1  0.70165000  0.24117200  0.44228600  1.0
  O  O17  1  0.79835000  0.24117200  0.94228600  1.0
  O  O18  1  0.29835000  0.75882800  0.55771400  1.0
  O  O19  1  0.20165000  0.75882800  0.05771400  1.0