# generated using pymatgen
data_Cr2HgN2Cl2O7
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.11435700
_cell_length_b   10.27530000
_cell_length_c   15.68681200
_cell_angle_alpha   83.28723092
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Cr2HgN2Cl2O7
_chemical_formula_sum   'Cr8 Hg4 N8 Cl8 O28'
_cell_volume   1298.96009426
_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  0.12392500  0.21652100  0.52621800  1.0
  Cr  Cr1  1  0.62392500  0.78347900  0.97378200  1.0
  Cr  Cr2  1  0.87607500  0.78347900  0.47378200  1.0
  Cr  Cr3  1  0.37607500  0.21652100  0.02621800  1.0
  Cr  Cr4  1  0.18813900  0.47592100  0.62087600  1.0
  Cr  Cr5  1  0.68813900  0.52407900  0.87912400  1.0
  Cr  Cr6  1  0.81186100  0.52407900  0.37912400  1.0
  Cr  Cr7  1  0.31186100  0.47592100  0.12087600  1.0
  Hg  Hg8  1  0.38712700  0.83880800  0.56157500  1.0
  Hg  Hg9  1  0.88712700  0.16119200  0.93842500  1.0
  Hg  Hg10  1  0.61287300  0.16119200  0.43842500  1.0
  Hg  Hg11  1  0.11287300  0.83880800  0.06157500  1.0
  N  N12  1  0.18940100  0.53519900  0.86308300  1.0
  N  N13  1  0.68940100  0.46480100  0.63691700  1.0
  N  N14  1  0.81059900  0.46480100  0.13691700  1.0
  N  N15  1  0.31059900  0.53519900  0.36308300  1.0
  N  N16  1  0.39738800  0.11972500  0.79107100  1.0
  N  N17  1  0.89738800  0.88027500  0.70892900  1.0
  N  N18  1  0.60261200  0.88027500  0.20892900  1.0
  N  N19  1  0.10261200  0.11972500  0.29107100  1.0
  Cl  Cl20  1  0.12366000  0.88694900  0.91303400  1.0
  Cl  Cl21  1  0.62366000  0.11305100  0.58696600  1.0
  Cl  Cl22  1  0.87634000  0.11305100  0.08696600  1.0
  Cl  Cl23  1  0.37634000  0.88694900  0.41303400  1.0
  Cl  Cl24  1  0.39582500  0.80434100  0.70987200  1.0
  Cl  Cl25  1  0.89582500  0.19565900  0.79012800  1.0
  Cl  Cl26  1  0.60417500  0.19565900  0.29012800  1.0
  Cl  Cl27  1  0.10417500  0.80434100  0.20987200  1.0
  O  O28  1  0.06817100  0.36589300  0.56605500  1.0
  O  O29  1  0.56817100  0.63410700  0.93394500  1.0
  O  O30  1  0.93182900  0.63410700  0.43394500  1.0
  O  O31  1  0.43182900  0.36589300  0.06605500  1.0
  O  O32  1  0.22036800  0.24072100  0.95984000  1.0
  O  O33  1  0.72036800  0.75927900  0.54016000  1.0
  O  O34  1  0.77963200  0.75927900  0.04016000  1.0
  O  O35  1  0.27963200  0.24072100  0.45984000  1.0
  O  O36  1  0.17828900  0.10635200  0.60413800  1.0
  O  O37  1  0.67828900  0.89364800  0.89586200  1.0
  O  O38  1  0.82171100  0.89364800  0.39586200  1.0
  O  O39  1  0.32171100  0.10635200  0.10413800  1.0
  O  O40  1  0.03241000  0.84027100  0.52568300  1.0
  O  O41  1  0.53241000  0.15972900  0.97431700  1.0
  O  O42  1  0.96759000  0.15972900  0.47431700  1.0
  O  O43  1  0.46759000  0.84027100  0.02568300  1.0
  O  O44  1  0.31510500  0.56333100  0.55517900  1.0
  O  O45  1  0.81510500  0.43666900  0.94482100  1.0
  O  O46  1  0.68489500  0.43666900  0.44482100  1.0
  O  O47  1  0.18489500  0.56333100  0.05517900  1.0
  O  O48  1  0.06966200  0.57860100  0.66445600  1.0
  O  O49  1  0.56966200  0.42139900  0.83554400  1.0
  O  O50  1  0.93033800  0.42139900  0.33554400  1.0
  O  O51  1  0.43033800  0.57860100  0.16445600  1.0
  O  O52  1  0.29696600  0.39407400  0.69597100  1.0
  O  O53  1  0.79696600  0.60592600  0.80402900  1.0
  O  O54  1  0.70303400  0.60592600  0.30402900  1.0
  O  O55  1  0.20303400  0.39407400  0.19597100  1.0