# generated using pymatgen
data_Tm2CuO4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.37468100
_cell_length_b   6.37190521
_cell_length_c   3.84431322
_cell_angle_alpha   72.48598981
_cell_angle_beta   72.40710152
_cell_angle_gamma   35.10690867
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Tm2CuO4
_chemical_formula_sum   'Tm2 Cu1 O4'
_cell_volume   85.19187079
_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
  Tm  Tm0  1  0.65140700  0.65500500  0.34499500  1.0
  Tm  Tm1  1  0.34499500  0.34859300  0.65140700  1.0
  Cu  Cu2  1  0.02473900  0.97526100  0.02473900  1.0
  O  O3  1  0.75026700  0.74973300  0.75026700  1.0
  O  O4  1  0.25026700  0.24973300  0.25026700  1.0
  O  O5  1  0.04226100  0.95773900  0.52706400  1.0
  O  O6  1  0.52706400  0.47293600  0.04226100  1.0