# generated using pymatgen
data_Li4MnCo2O7
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   10.25540864
_cell_length_b   10.25540864
_cell_length_c   5.17450803
_cell_angle_alpha   84.55349251
_cell_angle_beta   84.55349251
_cell_angle_gamma   150.72787708
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Li4MnCo2O7
_chemical_formula_sum   'Li8 Mn2 Co4 O14'
_cell_volume   246.61322535
_cell_formula_units_Z   2
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  0.85734800  0.14265200  0.50000000  1
  Li  Li1  1  0.28542500  0.71457500  0.50000000  1
  Li  Li2  1  0.71457500  0.28542500  0.50000000  1
  Li  Li3  1  0.14265200  0.85734800  0.50000000  1
  Li  Li4  1  0.57002500  0.42997500  0.50000000  1
  Li  Li5  1  0.00000000  0.00000000  0.50000000  1
  Li  Li6  1  0.42997500  0.57002500  0.50000000  1
  Li  Li7  1  0.50000000  0.50000000  0.00000000  1
  Mn  Mn8  1  0.92776900  0.07223100  0.00000000  1
  Mn  Mn9  1  0.07223100  0.92776900  0.00000000  1
  Co  Co10  1  0.35702400  0.64297600  0.00000000  1
  Co  Co11  1  0.78544400  0.21455600  0.00000000  1
  Co  Co12  1  0.21455600  0.78544400  0.00000000  1
  Co  Co13  1  0.64297600  0.35702400  0.00000000  1
  O  O14  1  0.62913400  0.91531200  0.23274200  1
  O  O15  1  0.05912500  0.48868500  0.22463700  1
  O  O16  1  0.48868500  0.05912500  0.22463700  1
  O  O17  1  0.91531200  0.62913400  0.23274200  1
  O  O18  1  0.31957700  0.16831200  0.21255100  1
  O  O19  1  0.78061900  0.78061900  0.23541600  1
  O  O20  1  0.16831200  0.31957700  0.21255100  1
  O  O21  1  0.08468800  0.37086600  0.76725800  1
  O  O22  1  0.51131500  0.94087500  0.77536300  1
  O  O23  1  0.94087500  0.51131500  0.77536300  1
  O  O24  1  0.37086600  0.08468800  0.76725800  1
  O  O25  1  0.83168800  0.68042300  0.78744900  1
  O  O26  1  0.21938100  0.21938100  0.76458400  1
  O  O27  1  0.68042300  0.83168800  0.78744900  1
