# generated using pymatgen
data_Li2MnCSO7
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.19305414
_cell_length_b   8.19382061
_cell_length_c   9.94467784
_cell_angle_alpha   103.39313108
_cell_angle_beta   103.36960356
_cell_angle_gamma   105.65611519
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Li2MnCSO7
_chemical_formula_sum   'Li8 Mn4 C4 S4 O28'
_cell_volume   593.81473812
_cell_formula_units_Z   4
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  0.44777600  0.93300500  0.16957700  1
  Li  Li1  1  0.94776700  0.43300600  0.16957900  1
  Li  Li2  1  0.68293700  0.69775600  0.16962300  1
  Li  Li3  1  0.18287300  0.19774100  0.16957200  1
  Li  Li4  1  0.05224200  0.56702600  0.83040900  1
  Li  Li5  1  0.55225800  0.06700100  0.83043800  1
  Li  Li6  1  0.81709300  0.80226300  0.83039000  1
  Li  Li7  1  0.31711600  0.30225500  0.83044700  1
  Mn  Mn8  1  0.43299600  0.68285900  0.36268500  1
  Mn  Mn9  1  0.06731000  0.81696000  0.63733100  1
  Mn  Mn10  1  0.93280700  0.18300300  0.36277700  1
  Mn  Mn11  1  0.56701600  0.31691200  0.63724800  1
  C  C12  1  0.77693600  0.02700700  0.07437100  1
  C  C13  1  0.27696900  0.52704300  0.07436600  1
  C  C14  1  0.72304700  0.47299400  0.92563000  1
  C  C15  1  0.22307800  0.97302500  0.92562400  1
  S  S16  1  0.70750300  0.45754000  0.40314000  1
  S  S17  1  0.20745300  0.95751700  0.40310900  1
  S  S18  1  0.79249800  0.04244000  0.59687600  1
  S  S19  1  0.29250900  0.54247200  0.59686500  1
  O  O20  1  0.30512700  0.05512100  0.06134900  1
  O  O21  1  0.80509100  0.55511300  0.06137300  1
  O  O22  1  0.19493700  0.44495000  0.93863900  1
  O  O23  1  0.69490600  0.94488100  0.93863500  1
  O  O24  1  0.91948200  0.16953700  0.12025100  1
  O  O25  1  0.41954100  0.66954600  0.12027700  1
  O  O26  1  0.58049700  0.33048500  0.87975900  1
  O  O27  1  0.08051500  0.83050000  0.87973300  1
  O  O28  1  0.72093400  0.97112500  0.17543600  1
  O  O29  1  0.22095600  0.47113400  0.17542500  1
  O  O30  1  0.77904600  0.52887500  0.82455900  1
  O  O31  1  0.27907100  0.02890900  0.82455500  1
  O  O32  1  0.67592200  0.92549400  0.44878800  1
  O  O33  1  0.17588300  0.42553600  0.44879000  1
  O  O34  1  0.82410800  0.57457200  0.55118200  1
  O  O35  1  0.32400100  0.07441800  0.55120700  1
  O  O36  1  0.56379200  0.31344400  0.42004300  1
  O  O37  1  0.06368900  0.81342300  0.41995400  1
  O  O38  1  0.93620900  0.18657800  0.58003000  1
  O  O39  1  0.43624400  0.68657700  0.57998300  1
  O  O40  1  0.62567500  0.55911400  0.31844100  1
  O  O41  1  0.12571800  0.05922700  0.31849200  1
  O  O42  1  0.80963000  0.37628900  0.31867500  1
  O  O43  1  0.30964900  0.87627500  0.31867700  1
  O  O44  1  0.69028600  0.12365800  0.68130600  1
  O  O45  1  0.19037600  0.62375200  0.68133000  1
  O  O46  1  0.87429800  0.94080900  0.68152600  1
  O  O47  1  0.37423800  0.44083200  0.68152700  1
