[CIF]
data_NaCaSi2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.06428006
_cell_length_b   4.55079964
_cell_length_c   6.43707132
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NaCaSi2
_chemical_formula_sum   'Na1 Ca1 Si2'
_cell_volume   89.76447416
_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  0.00000000  0.00000000  3.21853566  1
  Na  Na1  1  0.00000000  0.00000000  0.00000000  1
  Si  Si2  1  1.53214003  2.27539982  1.96299475  1
  Si  Si3  1  1.53214003  2.27539982  4.47407657  1
[/CIF]
