# generated using pymatgen
data_Ba2MnCu(P2O7)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.55264220
_cell_length_b   9.45706109
_cell_length_c   9.30800473
_cell_angle_alpha   70.05451481
_cell_angle_beta   103.33505308
_cell_angle_gamma   97.89811533
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ba2MnCu(P2O7)2
_chemical_formula_sum   'Ba4 Mn2 Cu2 P8 O28'
_cell_volume   606.84850004
_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
  Ba  Ba0  1  0.77534900  0.36292600  0.56847100  1.0
  Ba  Ba1  1  0.77526000  0.86292700  0.06841800  1.0
  Ba  Ba2  1  0.22241100  0.64007200  0.42562200  1.0
  Ba  Ba3  1  0.22236600  0.14007600  0.92560800  1.0
  Mn  Mn4  1  0.61595500  0.60589900  0.79797700  1.0
  Mn  Mn5  1  0.61546000  0.10585000  0.29793100  1.0
  Cu  Cu6  1  0.35435800  0.39832500  0.20301900  1.0
  Cu  Cu7  1  0.35336200  0.89839000  0.70273900  1.0
  P  P8  1  0.73198900  0.75403800  0.45656000  1.0
  P  P9  1  0.73196900  0.25402800  0.95657700  1.0
  P  P10  1  0.26604000  0.24305900  0.53967800  1.0
  P  P11  1  0.26606300  0.74301200  0.03970600  1.0
  P  P12  1  0.81660700  0.94308500  0.66004000  1.0
  P  P13  1  0.81658400  0.44306300  0.16006300  1.0
  P  P14  1  0.18725100  0.05833300  0.34551500  1.0
  P  P15  1  0.18736500  0.55826500  0.84557300  1.0
  O  O16  1  0.85150200  0.67890900  0.39549500  1.0
  O  O17  1  0.85150300  0.17887500  0.89554700  1.0
  O  O18  1  0.15868900  0.32188600  0.60624400  1.0
  O  O19  1  0.15872200  0.82176900  0.10633200  1.0
  O  O20  1  0.61902600  0.87402500  0.32412000  1.0
  O  O21  1  0.61907300  0.37403300  0.82411600  1.0
  O  O22  1  0.37820200  0.11865700  0.66988200  1.0
  O  O23  1  0.37837900  0.61869300  0.16989600  1.0
  O  O24  1  0.86965300  0.83664600  0.57045000  1.0
  O  O25  1  0.86962300  0.33662800  0.07048900  1.0
  O  O26  1  0.12163300  0.16125600  0.42932700  1.0
  O  O27  1  0.12168400  0.66115000  0.92941300  1.0
  O  O28  1  0.28539200  0.92589800  0.47722300  1.0
  O  O29  1  0.28561400  0.42588700  0.97730400  1.0
  O  O30  1  0.73143600  0.08148500  0.53139100  1.0
  O  O31  1  0.73150400  0.58149400  0.03144100  1.0
  O  O32  1  0.32996900  0.16424600  0.24987100  1.0
  O  O33  1  0.33000900  0.66428900  0.74987300  1.0
  O  O34  1  0.67311100  0.84639100  0.75509300  1.0
  O  O35  1  0.67300400  0.34641400  0.25507600  1.0
  O  O36  1  0.60834300  0.63598500  0.55678300  1.0
  O  O37  1  0.60829800  0.13598600  0.05678200  1.0
  O  O38  1  0.38833000  0.35823400  0.43378400  1.0
  O  O39  1  0.38816400  0.85825300  0.93364700  1.0
  O  O40  1  0.99089200  0.97947600  0.76149700  1.0
  O  O41  1  0.99084100  0.47941600  0.26159000  1.0
  O  O42  1  0.02445100  0.01136500  0.24185500  1.0
  O  O43  1  0.02456100  0.51130300  0.74198000  1.0