[CIF]
data_MgCrP2O7
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.07667587
_cell_length_b   8.44411796
_cell_length_c   9.40519117
_cell_angle_alpha   90.00000000
_cell_angle_beta   110.18380671
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   MgCrP2O7
_chemical_formula_sum   'Mg4 Cr4 P8 O28'
_cell_volume   527.50601070
_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  2.24744657  0.52944510  7.19557730  1
  Mg  Mg1  1  -0.03842188  4.75150408  6.04585840  1
  Mg  Mg2  1  3.86999697  3.69261388  2.78176540  1
  Mg  Mg3  1  1.58412851  7.91467286  1.63204650  1
  Cr  Cr4  1  -0.29115733  7.86960635  5.38351384  1
  Cr  Cr5  1  4.12273242  0.57451161  3.44410996  1
  Cr  Cr6  1  2.50018202  3.64754737  7.85792186  1
  Cr  Cr7  1  1.33139306  4.79657059  0.96970194  1
  P  P8  1  -0.31010157  2.21561183  2.19147491  1
  P  P9  1  0.65056423  6.51769454  8.57986409  1
  P  P10  1  -1.93265196  2.00644715  6.60528681  1
  P  P11  1  2.27311462  6.14848240  4.16605219  1
  P  P12  1  5.76422705  6.43767081  2.22233699  1
  P  P13  1  1.55846046  2.29563556  4.66157161  1
  P  P14  1  3.18101086  1.92642342  0.24775971  1
  P  P15  1  4.14167665  6.22850613  6.63614889  1
  O  O16  1  4.98962925  6.85741078  0.85678957  1
  O  O17  1  -1.39286393  3.32618763  6.13134458  1
  O  O18  1  0.22968647  0.89587135  1.71753268  1
  O  O19  1  0.94949291  5.15849216  7.89492346  1
  O  O20  1  -1.15805416  1.58670718  7.97083423  1
  O  O21  1  5.54893153  7.58897107  3.21320068  1
  O  O22  1  2.88208217  3.28562580  0.93270034  1
  O  O23  1  0.75131936  7.67678010  7.60369998  1
  O  O24  1  0.90112539  6.22271448  4.89215832  1
  O  O25  1  -1.71735644  0.85514689  5.61442311  1
  O  O26  1  3.92638113  5.07720587  7.62701258  1
  O  O27  1  3.65933110  2.04187427  7.05031319  1
  O  O28  1  -1.45030641  6.26393325  6.19112251  1
  O  O29  1  3.36707885  5.80876616  5.27060147  1
  O  O30  1  -0.09480605  3.36691209  1.20061121  1
  O  O31  1  3.60188862  7.54824661  7.11009112  1
  O  O32  1  0.17224399  6.40224369  1.77731061  1
  O  O33  1  3.08025572  0.76733786  1.22392382  1
  O  O34  1  2.52367578  6.44346246  0.47834642  1
  O  O35  1  1.30789930  2.00065550  8.34927738  1
  O  O36  1  1.25953178  0.93643318  5.34651224  1
  O  O37  1  2.37386976  4.98939684  3.18988808  1
  O  O38  1  1.45770533  3.45472112  5.63773572  1
  O  O39  1  5.22443901  5.11793033  2.69627922  1
  O  O40  1  5.28188149  2.18018471  2.63650129  1
  O  O41  1  2.57204330  7.50768478  3.48111156  1
  O  O42  1  2.93044970  2.22140348  3.93546548  1
  O  O43  1  0.46449623  2.63535180  3.55702233  1
[/CIF]
