data_[Sr8Li4Mo4O20]
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
  Mo  2.1600  1.4500  0.7750
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [Cmc2_1]
_cell_length_a [3.3137]
_cell_length_b [14.0505]
_cell_length_c [10.6031]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [36]
_chemical_formula_structural [Sr2LiMoO5]
_chemical_formula_sum '[Sr8 Li4 Mo4 O20]'
_cell_volume [493.6733]
_cell_formula_units_Z [4]
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  4  0.0000  0.0988  0.6850  1.0
  Sr  Sr1  4  0.0000  0.1265  0.3083  1.0
  Li  Li2  4  0.0000  0.4478  0.4445  1.0
  Mo  Mo3  4  0.0000  0.2086  0.0186  1.0
  O  O4  4  0.0000  0.0752  0.0388  1.0
  O  O5  4  0.0000  0.2809  0.6447  1.0
  O  O6  4  0.0000  0.3020  0.3960  1.0
  O  O7  4  0.0000  0.3454  0.0046  1.0
  O  O8  4  0.0000  0.4985  0.7834  1.0
]