data_Ne
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.55
_cell_length_b   6.55
_cell_length_c   6.55
_cell_angle_alpha   23.25
_cell_angle_beta   23.25
_cell_angle_gamma   23.25
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ne
_chemical_formula_sum   Ne3
_cell_volume   38.39
_cell_formula_units_Z   3
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
  Ne  Ne0  1  0.0  0.0  0.0  1.0
  Ne  Ne1  1  0.0  0.0  0.86  1.0
  Ne  Ne2  1  0.0  0.0  0.24  1.0

data_Ne
_symmetry_space_group_name_H-M   Cm
_cell_length_a   4.57
_cell_length_b   2.64
_cell_length_c   6.55
_cell_angle_alpha   90.0
_cell_angle_beta   103.45
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   Ne
_chemical_formula_sum   Ne6
_cell_volume   76.79
_cell_formula_units_Z   6
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
  Ne  Ne0  2  0.0  0.0  0.0  1.0
  Ne  Ne1  2  0.0  0.0  0.14  1.0
  Ne  Ne2  2  0.0  0.0  0.76  1.0

Ne Ne Ne
Ne Ne Ne 0 1 o o - 0 2 o o o 