# generated using pymatgen
data_CaSi2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.25670369
_cell_length_b   4.25670451
_cell_length_c   7.40121442
_cell_angle_alpha   106.71240976
_cell_angle_beta   106.71240964
_cell_angle_gamma   90.00000105
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CaSi2
_chemical_formula_sum   'Ca2 Si4'
_cell_volume   122.51563798
_cell_formula_units_Z   2
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  0.62500000  0.87500000  0.75000000  1.0
  Ca  Ca1  1  0.37500000  0.12500000  0.25000000  1.0
  Si  Si2  1  0.20953679  0.45953679  0.91907459  1.0
  Si  Si3  1  0.95953679  0.70953679  0.41907459  1.0
  Si  Si4  1  0.04046321  0.29046321  0.58092541  1.0
  Si  Si5  1  0.79046321  0.54046321  0.08092541  1.0