# generated using pymatgen
data_Ca4Si2AsPd27
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.82674563
_cell_length_b   8.82674563
_cell_length_c   7.06839864
_cell_angle_alpha   90.67742730
_cell_angle_beta   90.67742730
_cell_angle_gamma   88.61053086
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ca4Si2AsPd27
_chemical_formula_sum   'Ca4 Si2 As1 Pd27'
_cell_volume   550.47203561
_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  0.51013126  0.01013126  0.93433220  1.0
  Ca  Ca1  1  0.98986874  0.48986874  0.06566780  1.0
  Ca  Ca2  1  0.00392528  0.99607472  0.50000000  1.0
  Ca  Ca3  1  0.49607472  0.50392528  0.50000000  1.0
  Si  Si4  1  0.50899116  0.00899116  0.44359606  1.0
  Si  Si5  1  0.99100884  0.49100884  0.55640394  1.0
  As  As6  1  0.25000000  0.75000000  0.00000000  1.0
  Pd  Pd7  1  0.34251160  0.84251160  0.59346189  1.0
  Pd  Pd8  1  0.33475065  0.16894999  0.61876067  1.0
  Pd  Pd9  1  0.66894999  0.83475065  0.61876067  1.0
  Pd  Pd10  1  0.66984827  0.16984827  0.61907450  1.0
  Pd  Pd11  1  0.15748840  0.65748840  0.40653811  1.0
  Pd  Pd12  1  0.16524935  0.33105001  0.38123933  1.0
  Pd  Pd13  1  0.83105001  0.66524935  0.38123933  1.0
  Pd  Pd14  1  0.83015173  0.33015173  0.38092550  1.0
  Pd  Pd15  1  0.50452491  0.77551518  0.25323478  1.0
  Pd  Pd16  1  0.49863690  0.23609150  0.25534969  1.0
  Pd  Pd17  1  0.27551518  0.00452491  0.25323478  1.0
  Pd  Pd18  1  0.73609150  0.99863690  0.25534969  1.0
  Pd  Pd19  1  0.99547509  0.72448482  0.74676522  1.0
  Pd  Pd20  1  0.00136310  0.26390850  0.74465031  1.0
  Pd  Pd21  1  0.22448482  0.49547509  0.74676522  1.0
  Pd  Pd22  1  0.76390850  0.50136310  0.74465031  1.0
  Pd  Pd23  1  0.49642206  0.35498774  0.85726854  1.0
  Pd  Pd24  1  0.48547374  0.66815491  0.86040039  1.0
  Pd  Pd25  1  0.85498774  0.99642206  0.85726854  1.0
  Pd  Pd26  1  0.16815491  0.98547374  0.86040039  1.0
  Pd  Pd27  1  0.00357794  0.14501226  0.14273146  1.0
  Pd  Pd28  1  0.01452626  0.83184509  0.13959961  1.0
  Pd  Pd29  1  0.64501226  0.50357794  0.14273146  1.0
  Pd  Pd30  1  0.33184509  0.51452626  0.13959961  1.0
  Pd  Pd31  1  0.25000000  0.25000000  0.00000000  1.0
  Pd  Pd32  1  0.75000000  0.75000000  0.00000000  1.0
  Pd  Pd33  1  0.75000000  0.25000000  0.00000000  1.0