# generated using pymatgen
data_LiMn5(CuO6)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.10285125
_cell_length_b   5.10285113
_cell_length_c   9.64478303
_cell_angle_alpha   86.19887844
_cell_angle_beta   93.80112333
_cell_angle_gamma   63.72130280
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LiMn5(CuO6)2
_chemical_formula_sum   'Li1 Mn5 Cu2 O12'
_cell_volume   223.40321293
_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
  Li  Li0  1  0.92528700  0.92528700  0.75000000  1
  Mn  Mn1  1  0.07728400  0.07728400  0.25000000  1
  Mn  Mn2  1  0.41492700  0.41492700  0.25000000  1
  Mn  Mn3  1  0.58635900  0.58635900  0.75000000  1
  Mn  Mn4  1  0.51057000  0.99544000  0.50813100  1
  Mn  Mn5  1  0.99544000  0.51057000  0.99186900  1
  Cu  Cu6  1  0.25633100  0.25633100  0.75000000  1
  Cu  Cu7  1  0.74520000  0.74520000  0.25000000  1
  O  O8  1  0.17921100  0.30927300  0.37377800  1
  O  O9  1  0.06497300  0.74895800  0.14810500  1
  O  O10  1  0.30927300  0.17921100  0.12622200  1
  O  O11  1  0.28918200  0.53205500  0.85289900  1
  O  O12  1  0.26423900  0.95055400  0.65036100  1
  O  O13  1  0.53205500  0.28918200  0.64710100  1
  O  O14  1  0.42475200  0.74010700  0.34953200  1
  O  O15  1  0.74895800  0.06497300  0.35189500  1
  O  O16  1  0.74010700  0.42475200  0.15046800  1
  O  O17  1  0.67564400  0.80634600  0.88127500  1
  O  O18  1  0.95055400  0.26423900  0.84963900  1
  O  O19  1  0.80634600  0.67564400  0.61872500  1
