# generated using pymatgen
data_Li4Ti2Mn3Cu3O16
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.82456800
_cell_length_b   5.84941368
_cell_length_c   9.49503290
_cell_angle_alpha   90.58954516
_cell_angle_beta   90.42758770
_cell_angle_gamma   119.46125805
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Li4Ti2Mn3Cu3O16
_chemical_formula_sum   'Li4 Ti2 Mn3 Cu3 O16'
_cell_volume   281.62253034
_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  0.67297300  0.33884300  0.10316400  1
  Li  Li1  1  0.00006600  0.99898200  0.00310800  1
  Li  Li2  1  0.00020300  0.00056500  0.50690500  1
  Li  Li3  1  0.33345000  0.67046700  0.60568300  1
  Ti  Ti4  1  0.65956800  0.31911400  0.50913800  1
  Ti  Ti5  1  0.33354900  0.65918700  0.99964800  1
  Mn  Mn6  1  0.82736000  0.65561100  0.78395400  1
  Mn  Mn7  1  0.66027300  0.82978300  0.28512500  1
  Mn  Mn8  1  0.16767700  0.82846700  0.28510300  1
  Cu  Cu9  1  0.82855100  0.16768200  0.78543600  1
  Cu  Cu10  1  0.33881700  0.16824600  0.78604400  1
  Cu  Cu11  1  0.17420700  0.33983300  0.28478400  1
  O  O12  1  0.81155400  0.14671900  0.40974200  1
  O  O13  1  0.51724000  0.04233100  0.64981000  1
  O  O14  1  0.67143100  0.34033200  0.89145000  1
  O  O15  1  0.99386000  0.98945700  0.69492700  1
  O  O16  1  0.99394200  0.99351400  0.19299700  1
  O  O17  1  0.32743800  0.15686900  0.40561000  1
  O  O18  1  0.96272800  0.49504800  0.65620000  1
  O  O19  1  0.52860700  0.49477600  0.65762800  1
  O  O20  1  0.16897600  0.33485700  0.91488900  1
  O  O21  1  0.83664100  0.67057500  0.39580500  1
  O  O22  1  0.50667800  0.54493400  0.15522500  1
  O  O23  1  0.04491400  0.53245000  0.16068700  1
  O  O24  1  0.33999400  0.67491900  0.39058900  1
  O  O25  1  0.66376100  0.81929200  0.90321300  1
  O  O26  1  0.48119900  0.96936400  0.17006900  1
  O  O27  1  0.15464000  0.81778200  0.90523000  1
