# generated using pymatgen
data_TmO2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.57948600
_cell_length_b   4.14811000
_cell_length_c   6.06626335
_cell_angle_alpha   72.42129661
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TmO2
_chemical_formula_sum   'Tm2 O4'
_cell_volume   85.86637894
_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
  Tm  Tm0  1  0.25000000  0.16973200  0.18554500  1.0
  Tm  Tm1  1  0.75000000  0.83026800  0.81445500  1.0
  O  O2  1  0.25000000  0.81593100  0.55351900  1.0
  O  O3  1  0.75000000  0.18406900  0.44648100  1.0
  O  O4  1  0.25000000  0.73309000  0.04752400  1.0
  O  O5  1  0.75000000  0.26691000  0.95247600  1.0