# generated using pymatgen
data_MgCu2P2O9
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.23485400
_cell_length_b   7.14181700
_cell_length_c   14.29443900
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   MgCu2P2O9
_chemical_formula_sum   'Mg4 Cu8 P8 O36'
_cell_volume   636.50544270
_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
  Mg  Mg0  1  0.25000000  0.39632200  0.77656600  1.0
  Mg  Mg1  1  0.25000000  0.10367800  0.27656600  1.0
  Mg  Mg2  1  0.75000000  0.89632200  0.72343400  1.0
  Mg  Mg3  1  0.75000000  0.60367800  0.22343400  1.0
  Cu  Cu4  1  0.25000000  0.85283500  0.87937600  1.0
  Cu  Cu5  1  0.75000000  0.14716500  0.12062400  1.0
  Cu  Cu6  1  0.75000000  0.35283500  0.62062400  1.0
  Cu  Cu7  1  0.25000000  0.64716500  0.37937600  1.0
  Cu  Cu8  1  0.00000000  0.50000000  0.00000000  1.0
  Cu  Cu9  1  0.00000000  0.00000000  0.50000000  1.0
  Cu  Cu10  1  0.50000000  0.00000000  0.50000000  1.0
  Cu  Cu11  1  0.50000000  0.50000000  0.00000000  1.0
  P  P12  1  0.75000000  0.86677700  0.92935700  1.0
  P  P13  1  0.25000000  0.13322300  0.07064300  1.0
  P  P14  1  0.25000000  0.36677700  0.57064300  1.0
  P  P15  1  0.75000000  0.63322300  0.42935700  1.0
  P  P16  1  0.25000000  0.88655300  0.69762400  1.0
  P  P17  1  0.25000000  0.61344700  0.19762400  1.0
  P  P18  1  0.75000000  0.38655300  0.80237600  1.0
  P  P19  1  0.75000000  0.11344700  0.30237600  1.0
  O  O20  1  0.53856900  0.11117400  0.35980700  1.0
  O  O21  1  0.03856900  0.88882600  0.64019300  1.0
  O  O22  1  0.46143100  0.61117400  0.14019300  1.0
  O  O23  1  0.96143100  0.38882600  0.85980700  1.0
  O  O24  1  0.46143100  0.88882600  0.64019300  1.0
  O  O25  1  0.96143100  0.11117400  0.35980700  1.0
  O  O26  1  0.53856900  0.38882600  0.85980700  1.0
  O  O27  1  0.03856900  0.61117400  0.14019300  1.0
  O  O28  1  0.75000000  0.82929000  0.47966300  1.0
  O  O29  1  0.25000000  0.17071000  0.52033700  1.0
  O  O30  1  0.25000000  0.32929000  0.02033700  1.0
  O  O31  1  0.75000000  0.67071000  0.97966300  1.0
  O  O32  1  0.25000000  0.62549400  0.94904700  1.0
  O  O33  1  0.75000000  0.37450600  0.05095300  1.0
  O  O34  1  0.75000000  0.12549400  0.55095300  1.0
  O  O35  1  0.25000000  0.87450600  0.44904700  1.0
  O  O36  1  0.25000000  0.70308300  0.75859200  1.0
  O  O37  1  0.75000000  0.29691700  0.24140800  1.0
  O  O38  1  0.75000000  0.20308300  0.74140800  1.0
  O  O39  1  0.25000000  0.79691700  0.25859200  1.0
  O  O40  1  0.93634300  0.62866000  0.35741600  1.0
  O  O41  1  0.43634300  0.37134000  0.64258400  1.0
  O  O42  1  0.06365700  0.12866000  0.14258400  1.0
  O  O43  1  0.56365700  0.87134000  0.85741600  1.0
  O  O44  1  0.06365700  0.37134000  0.64258400  1.0
  O  O45  1  0.56365700  0.62866000  0.35741600  1.0
  O  O46  1  0.93634300  0.87134000  0.85741600  1.0
  O  O47  1  0.43634300  0.12866000  0.14258400  1.0
  O  O48  1  0.25000000  0.97779300  0.00037500  1.0
  O  O49  1  0.75000000  0.54928900  0.72918400  1.0
  O  O50  1  0.75000000  0.95071100  0.22918400  1.0
  O  O51  1  0.25000000  0.04928900  0.77081600  1.0
  O  O52  1  0.25000000  0.52220700  0.50037500  1.0
  O  O53  1  0.75000000  0.47779300  0.49962500  1.0
  O  O54  1  0.75000000  0.02220700  0.99962500  1.0
  O  O55  1  0.25000000  0.45071100  0.27081600  1.0