data_NaSiCl
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.25
_cell_length_b   6.25
_cell_length_c   6.25
_cell_angle_alpha   145.9
_cell_angle_beta   145.9
_cell_angle_gamma   48.99
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NaSiCl
_chemical_formula_sum   'Na1 Si1 Cl1'
_cell_volume   76.27
_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  0.07  1.0
  Si  Si2  1  0.0  0.0  0.12  1.0
  Cl  Cl0  1  0.0  0.0  0.55  1.0

data_NaSiCl
_symmetry_space_group_name_H-M   Cm
_cell_length_a   5.18
_cell_length_b   5.18
_cell_length_c   6.25
_cell_angle_alpha   90.0
_cell_angle_beta   114.49
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   NaSiCl
_chemical_formula_sum   'Na2 Si2 Cl2'
_cell_volume   152.54
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  'x, -y, z'
  3  'x+1/2, y+1/2, z'
  4  'x+1/2, -y+1/2, 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  2  0.0  0.0  0.93  1.0
  Si  Si1  2  0.0  0.0  0.88  1.0
  Cl  Cl2  2  0.0  0.0  0.45  1.0

Na Si Cl
Na Si Cl 0 1 o o o 0 2 o o o 0 2 o o - 1 2 o o o 