# generated using pymatgen
data_CrCu3HgSe4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.88632500
_cell_length_b   5.88632500
_cell_length_c   5.88632500
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CrCu3HgSe4
_chemical_formula_sum   'Cr1 Cu3 Hg1 Se4'
_cell_volume   203.95422719
_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
  Cr  Cr0  1  0.00000000  0.00000000  0.00000000  1.0
  Cu  Cu1  1  0.00000000  0.50000000  0.00000000  1.0
  Cu  Cu2  1  0.00000000  0.00000000  0.50000000  1.0
  Cu  Cu3  1  0.50000000  0.00000000  0.00000000  1.0
  Hg  Hg4  1  0.50000000  0.50000000  0.50000000  1.0
  Se  Se5  1  0.23378800  0.23378800  0.23378800  1.0
  Se  Se6  1  0.76621200  0.76621200  0.23378800  1.0
  Se  Se7  1  0.23378800  0.76621200  0.76621200  1.0
  Se  Se8  1  0.76621200  0.23378800  0.76621200  1.0