data_[Sr4Li1Ru3O12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Sr  0.9500  2.0000  1.3200
  Li  0.9800  1.4500  0.9000
  Ru  2.2000  1.3000  0.6610
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [P-1]
_cell_length_a [5.5722]
_cell_length_b [5.6225]
_cell_length_c [8.0034]
_cell_angle_alpha [90.0258]
_cell_angle_beta [90.5988]
_cell_angle_gamma [90.1766]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [Sr4Li(RuO4)3]
_chemical_formula_sum '[Sr4 Li1 Ru3 O12]'
_cell_volume [250.7300]
_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  2  0.0188  0.9950  0.2329  1.0
  Sr  Sr1  2  0.4855  0.5026  0.7672  1.0
  Li  Li2  1  0.5000  0.0000  0.0000  1.0
  Ru  Ru3  1  0.0000  0.5000  0.0000  1.0
  Ru  Ru4  1  0.0000  0.5000  0.5000  1.0
  Ru  Ru5  1  0.5000  0.0000  0.5000  1.0
  O  O6  2  0.0105  0.5622  0.7465  1.0
  O  O7  2  0.2043  0.2095  0.5303  1.0
  O  O8  2  0.2336  0.2509  0.9789  1.0
  O  O9  2  0.2523  0.7314  0.0253  1.0
  O  O10  2  0.2907  0.7042  0.4676  1.0
  O  O11  2  0.4950  0.0480  0.2643  1.0
]