# generated using pymatgen
data_CrP2O7
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.23483490
_cell_length_b   8.04740700
_cell_length_c   9.35885650
_cell_angle_alpha   90.00000000
_cell_angle_beta   110.69337992
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CrP2O7
_chemical_formula_sum   'Cr4 P8 O28'
_cell_volume   509.73463720
_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
  Cr  Cr0  1  0.27257000  0.49182200  0.74697300  1.0
  Cr  Cr1  1  0.27257000  0.00817800  0.24697300  1.0
  Cr  Cr2  1  0.72742500  0.99183100  0.75303500  1.0
  Cr  Cr3  1  0.72742500  0.50816900  0.25303500  1.0
  P  P4  1  0.07336300  0.23859200  0.94423000  1.0
  P  P5  1  0.07336300  0.26140800  0.44423000  1.0
  P  P6  1  0.92665300  0.73860400  0.55577800  1.0
  P  P7  1  0.92665300  0.76139600  0.05577800  1.0
  P  P8  1  0.32461200  0.79771900  0.55119800  1.0
  P  P9  1  0.67537600  0.29771900  0.94879700  1.0
  P  P10  1  0.32461200  0.70228100  0.05119800  1.0
  P  P11  1  0.67537600  0.20228100  0.44879700  1.0
  O  O12  1  0.00906300  0.58621600  0.65730100  1.0
  O  O13  1  0.00906300  0.91378400  0.15730100  1.0
  O  O14  1  0.99093100  0.08623000  0.84267600  1.0
  O  O15  1  0.99093100  0.41377000  0.34267600  1.0
  O  O16  1  0.19980700  0.35381400  0.89168700  1.0
  O  O17  1  0.19980700  0.14618600  0.39168700  1.0
  O  O18  1  0.80021000  0.85382600  0.60833100  1.0
  O  O19  1  0.80021000  0.64617400  0.10833100  1.0
  O  O20  1  0.10960900  0.84990900  0.55083800  1.0
  O  O21  1  0.10960900  0.65009100  0.05083800  1.0
  O  O22  1  0.89040000  0.34988000  0.94917400  1.0
  O  O23  1  0.89040000  0.15012000  0.44917400  1.0
  O  O24  1  0.32613200  0.67868700  0.88909900  1.0
  O  O25  1  0.32613200  0.82131300  0.38909900  1.0
  O  O26  1  0.67384800  0.17870000  0.61089400  1.0
  O  O27  1  0.67384800  0.32130000  0.11089400  1.0
  O  O28  1  0.19134000  0.31072400  0.61039300  1.0
  O  O29  1  0.19134000  0.18927600  0.11039300  1.0
  O  O30  1  0.80867900  0.81071700  0.88961500  1.0
  O  O31  1  0.80867900  0.68928300  0.38961500  1.0
  O  O32  1  0.35994900  0.61707400  0.60121600  1.0
  O  O33  1  0.64002300  0.11707900  0.89876500  1.0
  O  O34  1  0.35994900  0.88292600  0.10121600  1.0
  O  O35  1  0.64002300  0.38292100  0.39876500  1.0
  O  O36  1  0.53675000  0.41914200  0.83306000  1.0
  O  O37  1  0.46326000  0.91912300  0.66693900  1.0
  O  O38  1  0.53675000  0.08085800  0.33306000  1.0
  O  O39  1  0.46326000  0.58087700  0.16693900  1.0