# generated using pymatgen
data_CaYb3(YHg2)4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.39692824
_cell_length_b   7.40384777
_cell_length_c   7.38946302
_cell_angle_alpha   90.00000000
_cell_angle_beta   89.99366996
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CaYb3(YHg2)4
_chemical_formula_sum   'Ca1 Yb3 Y4 Hg8'
_cell_volume   404.68933868
_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  0.25046901  0.75000000  0.99996777  1.0
  Yb  Yb1  1  0.74936539  0.25000000  0.00003984  1.0
  Yb  Yb2  1  0.24951918  0.75000000  0.49995865  1.0
  Yb  Yb3  1  0.75053293  0.25000000  0.50003963  1.0
  Y  Y4  1  0.25014253  0.25000000  0.00000006  1.0
  Y  Y5  1  0.74988591  0.75000000  0.00000231  1.0
  Y  Y6  1  0.75011276  0.75000000  0.49999887  1.0
  Y  Y7  1  0.24997357  0.25000000  0.50000243  1.0
  Hg  Hg8  1  0.99635429  0.49638610  0.25268483  1.0
  Hg  Hg9  1  0.99635429  0.00361590  0.25268483  1.0
  Hg  Hg10  1  0.50371440  0.00363193  0.25423510  1.0
  Hg  Hg11  1  0.50371440  0.49636807  0.25423510  1.0
  Hg  Hg12  1  0.50364757  0.49643895  0.74575959  1.0
  Hg  Hg13  1  0.50364757  0.00356305  0.74575959  1.0
  Hg  Hg14  1  0.99628211  0.00366949  0.74731621  1.0
  Hg  Hg15  1  0.99628211  0.49633051  0.74731621  1.0