data_[Li4Sc4Mo4O16]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Li  0.9800  1.4500  0.9000
  Sc  1.3600  1.6000  0.8850
  Mo  2.1600  1.4500  0.7750
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [Imma]
_cell_length_a [6.2844]
_cell_length_b [6.2899]
_cell_length_c [8.7914]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [74]
_chemical_formula_structural [LiScMoO4]
_chemical_formula_sum '[Li4 Sc4 Mo4 O16]'
_cell_volume [347.5071]
_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
[
  Li  Li0  4  0.0000  0.2500  0.1183  1.0
  Sc  Sc1  4  0.0000  0.0000  0.5000  1.0
  Mo  Mo2  4  0.2500  0.2500  0.7500  1.0
  O  O3  8  0.0000  0.0250  0.7418  1.0
  O  O4  8  0.2276  0.2500  0.5178  1.0
]