data_NaYSi2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.84
_cell_length_b   5.64
_cell_length_c   5.64
_cell_angle_alpha   46.14
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NaYSi2
_chemical_formula_sum   'Na1 Y1 Si2'
_cell_volume   88.08
_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
  Na  Na0  1  0.0  0.0  0.1  1.0
  Y  Y3  1  0.92  0.0  0.19  1.0
  Si  Si1  1  0.92  0.0  0.49  1.0
  Si  Si2  1  0.0  0.0  0.04  1.0

data_NaYSi2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.84
_cell_length_b   4.42
_cell_length_c   5.64
_cell_angle_alpha   113.07
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NaYSi2
_chemical_formula_sum   'Na1 Y1 Si2'
_cell_volume   88.08
_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
  Na  Na0  1  0.0  0.1  0.1  1.0
  Y  Y1  1  0.08  0.19  0.19  1.0
  Si  Si2  1  0.0  0.04  0.04  1.0
  Si  Si3  1  0.08  0.49  0.49  1.0

Na Y Si Si