# generated using pymatgen
data_CaSi
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.90539621
_cell_length_b   4.55495478
_cell_length_c   5.81060279
_cell_angle_alpha   113.07600432
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CaSi
_chemical_formula_sum   'Ca2 Si2'
_cell_volume   95.09363507
_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  0.25000000  0.86148664  0.72297228  1.0
  Ca  Ca1  1  0.75000000  0.13851336  0.27702772  1.0
  Si  Si2  1  0.25000000  0.56844661  0.13689623  1.0
  Si  Si3  1  0.75000000  0.43155339  0.86310377  1.0