# generated using pymatgen
data_BaTm2NiO5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.77038416
_cell_length_b   5.74027918
_cell_length_c   6.60388886
_cell_angle_alpha   115.76071049
_cell_angle_beta   106.58676307
_cell_angle_gamma   89.99999318
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BaTm2NiO5
_chemical_formula_sum   'Ba1 Tm2 Ni1 O5'
_cell_volume   122.08621557
_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
  Ba  Ba0  1  0.49999900  0.50000000  0.00000000  1.0
  Tm  Tm1  1  0.29649400  0.79649400  0.59298800  1.0
  Tm  Tm2  1  0.70350500  0.20350600  0.40701300  1.0
  Ni  Ni3  1  0.00000000  0.00000000  0.00000000  1.0
  O  O4  1  0.50000100  0.00000000  0.00000100  1.0
  O  O5  1  0.15185200  0.91239300  0.30370200  1.0
  O  O6  1  0.84815000  0.08760700  0.69629900  1.0
  O  O7  1  0.84814900  0.60869300  0.69629900  1.0
  O  O8  1  0.15185000  0.39130800  0.30370000  1.0