data_Sr3Li4(SiN3)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.72
_cell_length_b   5.72
_cell_length_c   6.2
_cell_angle_alpha   90.15
_cell_angle_beta   90.15
_cell_angle_gamma   115.34
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Sr3Li4(SiN3)2
_chemical_formula_sum   'Sr3 Li4 Si2 N6'
_cell_volume   183.34
_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
  Sr  Sr12  1  0.0  0.0  0.0  1.0
  Sr  Sr13  1  0.05  0.98  0.1  1.0
  Sr  Sr14  1  0.05  0.02  0.1  1.0
  Li  Li0  1  0.21  0.7  0.75  1.0
  Li  Li1  1  0.21  0.3  0.75  1.0
  Li  Li2  1  0.88  0.7  0.44  1.0
  Li  Li3  1  0.88  0.3  0.44  1.0
  Si  Si10  1  0.73  0.0  0.03  1.0
  Si  Si11  1  0.36  0.0  0.17  1.0
  N  N4  1  0.28  0.54  0.27  1.0
  N  N5  1  0.28  0.46  0.27  1.0
  N  N6  1  0.93  0.0  0.34  1.0
  N  N7  1  0.16  0.0  0.86  1.0
  N  N8  1  0.81  0.54  0.93  1.0
  N  N9  1  0.81  0.46  0.93  1.0

data_Sr3Li4(SiN3)2
_symmetry_space_group_name_H-M   P1
_cell_length_a   5.72
_cell_length_b   5.72
_cell_length_c   6.2
_cell_angle_alpha   90.15
_cell_angle_beta   90.15
_cell_angle_gamma   115.34
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Sr3Li4(SiN3)2
_chemical_formula_sum   'Sr3 Li4 Si2 N6'
_cell_volume   183.34
_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
  Sr  Sr0  1  0.0  0.0  0.0  1.0
  Sr  Sr1  1  0.05  0.02  0.1  1.0
  Sr  Sr2  1  0.05  0.98  0.1  1.0
  Li  Li3  1  0.21  0.3  0.75  1.0
  Li  Li4  1  0.21  0.7  0.75  1.0
  Li  Li5  1  0.88  0.3  0.44  1.0
  Li  Li6  1  0.88  0.7  0.44  1.0
  Si  Si7  1  0.36  0.0  0.17  1.0
  Si  Si8  1  0.73  0.0  0.03  1.0
  N  N9  1  0.16  0.0  0.86  1.0
  N  N10  1  0.28  0.46  0.27  1.0
  N  N11  1  0.28  0.54  0.27  1.0
  N  N12  1  0.81  0.46  0.93  1.0
  N  N13  1  0.81  0.54  0.93  1.0
  N  N14  1  0.93  0.0  0.34  1.0

Sr Sr Sr Li Li Li Li Si Si N N N N N N
Sr Sr Sr Li Li Li Li Si Si N N N N N N 0 1 o - o 0 2 o o o 0 7 - o o 0 12 o o - 1 2 o + o 1 7 - + o 1 8 o + o 1 11 - + o 2 7 - o o 2 8 o o o 2 11 - o o 3 14 - o o 3 13 - o o 3 12 o + o 3 4 o o o 4 12 o o o 5 11 o + o 5 6 o o o 6 11 o o o 6 10 + o o 6 9 + o o 7 8 o o o 8 12 o o - 9 10 o o o 13 14 o o o 