# generated using pymatgen
data_Ba2LiTmCu3O7
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.77034100
_cell_length_b   3.94526200
_cell_length_c   12.75988800
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ba2LiTmCu3O7
_chemical_formula_sum   'Ba2 Li1 Tm1 Cu3 O7'
_cell_volume   189.80311803
_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  0.50000000  0.48823500  0.21401800  1
  Ba  Ba1  1  0.50000000  0.48823500  0.78598200  1
  Li  Li2  1  0.50000000  0.63754800  0.00000000  1
  Tm  Tm3  1  0.50000000  0.49429200  0.50000000  1
  Cu  Cu4  1  0.00000000  0.99403400  0.61900900  1
  Cu  Cu5  1  0.00000000  0.99403400  0.38099100  1
  Cu  Cu6  1  0.00000000  0.05175300  0.00000000  1
  O  O7  1  0.50000000  0.99459200  0.39056500  1
  O  O8  1  0.00000000  0.03062400  0.84935300  1
  O  O9  1  0.50000000  0.99459200  0.60943500  1
  O  O10  1  0.00000000  0.49423700  0.38813500  1
  O  O11  1  0.00000000  0.49423700  0.61186500  1
  O  O12  1  0.00000000  0.03062400  0.15064700  1
  O  O13  1  0.00000000  0.54629600  0.00000000  1
