data_[Li1Sc2Mo1O6]
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 [P1]
_cell_length_a [5.2716]
_cell_length_b [5.3236]
_cell_length_c [5.6984]
_cell_angle_alpha [62.2973]
_cell_angle_beta [89.6421]
_cell_angle_gamma [60.5462]
_symmetry_Int_Tables_number [1]
_chemical_formula_structural [LiSc2MoO6]
_chemical_formula_sum '[Li1 Sc2 Mo1 O6]'
_cell_volume [118.0475]
_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
[
  Li  Li0  1  0.1981  0.5831  0.6220  1.0
  Sc  Sc1  1  0.4777  0.0334  0.4378  1.0
  Sc  Sc2  1  0.9737  0.0496  0.9425  1.0
  Mo  Mo3  1  0.6785  0.6382  0.0419  1.0
  O  O4  1  0.0661  0.1773  0.2306  1.0
  O  O5  1  0.2902  0.1134  0.7584  1.0
  O  O6  1  0.4186  0.5286  0.2297  1.0
  O  O7  1  0.5962  0.5349  0.7503  1.0
  O  O8  1  0.7729  0.8270  0.2382  1.0
  O  O9  1  0.8665  0.8378  0.7637  1.0
]