# generated using pymatgen
data_Ca4YEr3Hg8
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.42316462
_cell_length_b   7.42295369
_cell_length_c   7.37788419
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00006124
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ca4YEr3Hg8
_chemical_formula_sum   'Ca4 Y1 Er3 Hg8'
_cell_volume   406.53475232
_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  0.74956155  0.25000000  0.00006912  1.0
  Ca  Ca1  1  0.24960573  0.75000000  0.49996972  1.0
  Ca  Ca2  1  0.75044919  0.25000000  0.50000480  1.0
  Ca  Ca3  1  0.25042482  0.75000000  0.99994113  1.0
  Y  Y4  1  0.24994512  0.25000000  0.50002447  1.0
  Er  Er5  1  0.24993568  0.25000000  0.99999599  1.0
  Er  Er6  1  0.74991026  0.75000000  0.00002929  1.0
  Er  Er7  1  0.75005967  0.75000000  0.49999176  1.0
  Hg  Hg8  1  0.99831019  0.50160818  0.24748976  1.0
  Hg  Hg9  1  0.99831019  0.99839382  0.24748976  1.0
  Hg  Hg10  1  0.50174583  0.99821321  0.24878534  1.0
  Hg  Hg11  1  0.50174583  0.50178679  0.24878534  1.0
  Hg  Hg12  1  0.50168314  0.50180405  0.75121395  1.0
  Hg  Hg13  1  0.50168314  0.99819795  0.75121395  1.0
  Hg  Hg14  1  0.99831383  0.99839284  0.75249781  1.0
  Hg  Hg15  1  0.99831383  0.50160716  0.75249781  1.0