data_[Li1Sm4Tm4O12]
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
  Tm  1.2500  1.7500  1.0950
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [P1]
_cell_length_a [5.7532]
_cell_length_b [6.0568]
_cell_length_c [8.4641]
_cell_angle_alpha [89.2353]
_cell_angle_beta [87.5310]
_cell_angle_gamma [88.6897]
_symmetry_Int_Tables_number [1]
_chemical_formula_structural [LiSm4Tm4O12]
_chemical_formula_sum '[Li1 Sm4 Tm4 O12]'
_cell_volume [294.5660]
_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  0.3609  0.3828  0.0554  1
  Sm  Sm1  1  0.0200  0.9516  0.7604  1
  Sm  Sm2  1  0.4708  0.4276  0.7346  1
  Sm  Sm3  1  0.4965  0.5610  0.3000  1
  Sm  Sm4  1  0.9843  0.0594  0.2344  1
  Tm  Tm5  1  0.5038  0.0016  0.5011  1
  Tm  Tm6  1  0.5086  0.9599  0.9978  1
  Tm  Tm7  1  0.9476  0.5144  0.0009  1
  Tm  Tm8  1  0.9966  0.5037  0.5027  1
  O  O9  1  0.1295  0.4284  0.2369  1
  O  O10  1  0.2006  0.2090  0.5829  1
  O  O11  1  0.2070  0.1960  0.9319  1
  O  O12  1  0.3089  0.6976  0.5671  1
  O  O13  1  0.3178  0.6602  0.9305  1
  O  O14  1  0.3635  0.9366  0.2531  1
  O  O15  1  0.6359  0.0554  0.7473  1
  O  O16  1  0.6665  0.2961  0.0898  1
  O  O17  1  0.6910  0.3144  0.4534  1
  O  O18  1  0.8130  0.8089  0.4129  1
  O  O19  1  0.8541  0.5643  0.7501  1
  O  O20  1  0.8771  0.8670  0.0193  1
]