data_NaCoSi2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.01
_cell_length_b   4.01
_cell_length_c   6.45
_cell_angle_alpha   98.48
_cell_angle_beta   98.48
_cell_angle_gamma   40.87
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NaCoSi2
_chemical_formula_sum   'Na1 Co1 Si2'
_cell_volume   66.85
_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  Na1  1  0.0  0.0  0.0  1.0
  Co  Co0  1  0.25  0.0  0.18  1.0
  Si  Si2  1  0.09  0.0  0.19  1.0
  Si  Si3  1  0.41  0.0  0.18  1.0

data_NaCoSi2
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.8
_cell_length_b   4.01
_cell_length_c   6.45
_cell_angle_alpha   98.48
_cell_angle_beta   90.0
_cell_angle_gamma   110.43
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NaCoSi2
_chemical_formula_sum   'Na1 Co1 Si2'
_cell_volume   66.85
_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  0.0  1.0
  Co  Co1  1  0.0  0.75  0.82  1.0
  Si  Si2  1  0.0  0.59  0.82  1.0
  Si  Si3  1  0.0  0.91  0.81  1.0

Na Co Si Si