# generated using pymatgen
data_CaSi3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.64928384
_cell_length_b   7.64928384
_cell_length_c   7.64928384
_cell_angle_alpha   123.34129732
_cell_angle_beta   123.34129732
_cell_angle_gamma   84.30400426
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CaSi3
_chemical_formula_sum   'Ca4 Si12'
_cell_volume   298.88201362
_cell_formula_units_Z   4
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  0.82690000  0.82690000  0.00000000  1.0
  Ca  Ca1  1  0.17310000  0.17310000  0.00000000  1.0
  Ca  Ca2  1  0.25000000  0.75000000  0.50000000  1.0
  Ca  Ca3  1  0.75000000  0.25000000  0.50000000  1.0
  Si  Si4  1  0.33546400  0.00000000  0.33546400  1.0
  Si  Si5  1  0.66453600  0.00000000  0.66453600  1.0
  Si  Si6  1  0.00000000  0.66453600  0.66453600  1.0
  Si  Si7  1  0.00000000  0.33546400  0.33546400  1.0
  Si  Si8  1  0.20994800  0.20994800  0.62910100  1.0
  Si  Si9  1  0.58084700  0.58084700  0.37089900  1.0
  Si  Si10  1  0.20994800  0.58084700  0.00000000  1.0
  Si  Si11  1  0.58084700  0.20994800  0.00000000  1.0
  Si  Si12  1  0.79005200  0.79005200  0.37089900  1.0
  Si  Si13  1  0.41915300  0.41915300  0.62910100  1.0
  Si  Si14  1  0.79005200  0.41915300  0.00000000  1.0
  Si  Si15  1  0.41915300  0.79005200  0.00000000  1.0