data_NaLi2Y
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.45
_cell_length_b   5.45
_cell_length_c   5.45
_cell_angle_alpha   124.55
_cell_angle_beta   124.55
_cell_angle_gamma   82.29
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NaLi2Y
_chemical_formula_sum   'Na1 Li2 Y1'
_cell_volume   105.74
_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  Na2  1  0.0  0.0  0.0  1.0
  Li  Li0  1  0.0  0.54  0.05  1.0
  Li  Li1  1  0.54  0.0  0.05  1.0
  Y  Y3  1  0.0  0.0  0.11  1.0

data_NaLi2Y
_symmetry_space_group_name_H-M   Cm
_cell_length_a   7.18
_cell_length_b   7.18
_cell_length_c   5.45
_cell_angle_alpha   90.0
_cell_angle_beta   131.15
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   NaLi2Y
_chemical_formula_sum   'Na2 Li4 Y2'
_cell_volume   211.49
_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  0.0  1.0
  Li  Li1  4  0.23  0.23  0.52  1.0
  Y  Y2  2  0.0  0.0  0.11  1.0

Na Li Li Y