# generated using pymatgen
data_CaSi
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.82890600
_cell_length_b   10.97998600
_cell_length_c   14.72556600
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CaSi
_chemical_formula_sum   'Ca12 Si12'
_cell_volume   619.08244260
_cell_formula_units_Z   12
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  0.25000000  0.64320100  0.84950900  1.0
  Ca  Ca1  1  0.25000000  0.85679900  0.34950900  1.0
  Ca  Ca2  1  0.75000000  0.35679900  0.15049100  1.0
  Ca  Ca3  1  0.75000000  0.14320100  0.65049100  1.0
  Ca  Ca4  1  0.25000000  0.33562400  0.82225600  1.0
  Ca  Ca5  1  0.25000000  0.16437600  0.32225600  1.0
  Ca  Ca6  1  0.75000000  0.66437600  0.17774400  1.0
  Ca  Ca7  1  0.75000000  0.83562400  0.67774400  1.0
  Ca  Ca8  1  0.25000000  0.01770900  0.88940200  1.0
  Ca  Ca9  1  0.25000000  0.48229100  0.38940200  1.0
  Ca  Ca10  1  0.75000000  0.98229100  0.11059800  1.0
  Ca  Ca11  1  0.75000000  0.51770900  0.61059800  1.0
  Si  Si12  1  0.25000000  0.31724600  0.55750100  1.0
  Si  Si13  1  0.25000000  0.18275400  0.05750100  1.0
  Si  Si14  1  0.75000000  0.68275400  0.44249900  1.0
  Si  Si15  1  0.75000000  0.81724600  0.94249900  1.0
  Si  Si16  1  0.25000000  0.73620600  0.53408700  1.0
  Si  Si17  1  0.25000000  0.76379400  0.03408700  1.0
  Si  Si18  1  0.75000000  0.26379400  0.46591300  1.0
  Si  Si19  1  0.75000000  0.23620600  0.96591300  1.0
  Si  Si20  1  0.25000000  0.96767900  0.54258900  1.0
  Si  Si21  1  0.25000000  0.53232100  0.04258900  1.0
  Si  Si22  1  0.75000000  0.03232100  0.45741100  1.0
  Si  Si23  1  0.75000000  0.46767900  0.95741100  1.0