# generated using pymatgen
data_Ca2Si7Pd12
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.99374778
_cell_length_b   9.99374697
_cell_length_c   3.80924692
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   119.99999630
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ca2Si7Pd12
_chemical_formula_sum   'Ca2 Si7 Pd12'
_cell_volume   329.47806495
_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  0.33333300  0.66666700  0.75035852  1.0
  Ca  Ca1  1  0.66666700  0.33333300  0.24964148  1.0
  Si  Si2  1  0.00000000  0.00000000  0.50000000  1.0
  Si  Si3  1  0.29075050  0.88525173  0.24949920  1.0
  Si  Si4  1  0.59450123  0.70924950  0.24949920  1.0
  Si  Si5  1  0.11474827  0.40549877  0.24949920  1.0
  Si  Si6  1  0.70924950  0.11474827  0.75050080  1.0
  Si  Si7  1  0.40549877  0.29075050  0.75050080  1.0
  Si  Si8  1  0.88525173  0.59450123  0.75050080  1.0
  Pd  Pd9  1  0.25734613  0.11182081  0.25135090  1.0
  Pd  Pd10  1  0.85447568  0.74265387  0.25135090  1.0
  Pd  Pd11  1  0.88817919  0.14552432  0.25135090  1.0
  Pd  Pd12  1  0.74265387  0.88817919  0.74864910  1.0
  Pd  Pd13  1  0.14552432  0.25734613  0.74864910  1.0
  Pd  Pd14  1  0.11182081  0.85447568  0.74864910  1.0
  Pd  Pd15  1  0.06178306  0.62088298  0.24890039  1.0
  Pd  Pd16  1  0.55909992  0.93821694  0.24890039  1.0
  Pd  Pd17  1  0.37911702  0.44090008  0.24890039  1.0
  Pd  Pd18  1  0.93821694  0.37911702  0.75109961  1.0
  Pd  Pd19  1  0.44090008  0.06178306  0.75109961  1.0
  Pd  Pd20  1  0.62088298  0.55909992  0.75109961  1.0