# generated using pymatgen
data_CaCr4(HgO4)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.79788026
_cell_length_b   6.79664953
_cell_length_c   6.79672483
_cell_angle_alpha   54.56387926
_cell_angle_beta   54.55952254
_cell_angle_gamma   54.56074156
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CaCr4(HgO4)2
_chemical_formula_sum   'Ca1 Cr4 Hg2 O8'
_cell_volume   193.90339964
_cell_formula_units_Z   1
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
  Ca  Ca0  1  0.49999700  0.49998900  0.49998700  1.0
  Cr  Cr1  1  0.99999400  0.50001900  0.00000700  1.0
  Cr  Cr2  1  0.50002300  0.99999400  0.00000100  1.0
  Cr  Cr3  1  0.99999200  0.99999300  0.50001400  1.0
  Cr  Cr4  1  0.00001800  0.00003900  0.00005000  1.0
  Hg  Hg5  1  0.65976000  0.65978800  0.65965500  1.0
  Hg  Hg6  1  0.34023400  0.34021700  0.34030900  1.0
  O  O7  1  0.78405600  0.78398200  0.78401800  1.0
  O  O8  1  0.24075900  0.24070600  0.80431400  1.0
  O  O9  1  0.24072600  0.80432100  0.24066100  1.0
  O  O10  1  0.80450400  0.24056100  0.24056300  1.0
  O  O11  1  0.75926000  0.19569700  0.75930100  1.0
  O  O12  1  0.19552300  0.75942500  0.75940900  1.0
  O  O13  1  0.21593300  0.21598600  0.21600500  1.0
  O  O14  1  0.75922200  0.75928100  0.19570300  1.0