# generated using pymatgen
data_CaY7Hg4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.08383124
_cell_length_b   7.11226421
_cell_length_c   9.26386383
_cell_angle_alpha   90.16565979
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CaY7Hg4
_chemical_formula_sum   'Ca1 Y7 Hg4'
_cell_volume   334.95722858
_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  0.75000000  0.33479165  0.92259632  1.0
  Y  Y1  1  0.25000000  0.01618028  0.81168446  1.0
  Y  Y2  1  0.25000000  0.51603456  0.68600083  1.0
  Y  Y3  1  0.75000000  0.98315061  0.19038605  1.0
  Y  Y4  1  0.75000000  0.48588734  0.31320725  1.0
  Y  Y5  1  0.25000000  0.16377548  0.42223409  1.0
  Y  Y6  1  0.25000000  0.66028023  0.07503297  1.0
  Y  Y7  1  0.75000000  0.83780021  0.57957468  1.0
  Hg  Hg8  1  0.25000000  0.73801618  0.39814361  1.0
  Hg  Hg9  1  0.25000000  0.23550545  0.10323131  1.0
  Hg  Hg10  1  0.75000000  0.26145394  0.59772792  1.0
  Hg  Hg11  1  0.75000000  0.76712407  0.90017851  1.0