# generated using pymatgen
data_Ca4Y4InHg7
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.47681226
_cell_length_b   7.48234559
_cell_length_c   7.44334077
_cell_angle_alpha   89.99923918
_cell_angle_beta   89.99920893
_cell_angle_gamma   89.88040627
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ca4Y4InHg7
_chemical_formula_sum   'Ca4 Y4 In1 Hg7'
_cell_volume   416.41004291
_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  0.74810997  0.24866059  0.99875845  1.0
  Ca  Ca1  1  0.25077236  0.75124906  0.50121857  1.0
  Ca  Ca2  1  0.74925679  0.24876179  0.50130058  1.0
  Ca  Ca3  1  0.25190716  0.75133797  0.99864759  1.0
  Y  Y4  1  0.24977561  0.25063777  0.99973542  1.0
  Y  Y5  1  0.75021291  0.74937631  0.99971814  1.0
  Y  Y6  1  0.75129743  0.74920531  0.50020460  1.0
  Y  Y7  1  0.24869231  0.25081179  0.50019048  1.0
  In  In8  1  0.00003852  0.50005485  0.24897740  1.0
  Hg  Hg9  1  0.00014546  0.99994367  0.24901676  1.0
  Hg  Hg10  1  0.50010666  0.00005584  0.25105269  1.0
  Hg  Hg11  1  0.50011029  0.49993224  0.25095637  1.0
  Hg  Hg12  1  0.49989170  0.50003200  0.74905680  1.0
  Hg  Hg13  1  0.49989713  0.99996367  0.74897365  1.0
  Hg  Hg14  1  0.99990360  0.00005587  0.75095260  1.0
  Hg  Hg15  1  0.99988109  0.49992827  0.75124090  1.0