data_[Li2Sm4Mo2O12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Li  0.9800  1.4500  0.9000
  Sm  1.1700  1.8500  1.2290
  Mo  2.1600  1.4500  0.7750
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [P2_1/c]
_cell_length_a [5.4816]
_cell_length_b [5.8410]
_cell_length_c [9.3613]
_cell_angle_alpha [90.0000]
_cell_angle_beta [124.0989]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [14]
_chemical_formula_structural [LiSm2MoO6]
_chemical_formula_sum '[Li2 Sm4 Mo2 O12]'
_cell_volume [248.1965]
_cell_formula_units_Z [2]
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  2  0.5000  0.0000  0.0000  1.0
  Sm  Sm1  4  0.2812  0.5714  0.7536  1.0
  Mo  Mo2  2  0.0000  0.0000  0.5000  1.0
  O  O3  4  0.1204  0.5396  0.2375  1.0
  O  O4  4  0.2500  0.2100  0.0672  1.0
  O  O5  4  0.3537  0.6873  0.0546  1.0
]