data_[Li1Tm2Mo1O6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Li  0.9800  1.4500  0.9000
  Tm  1.2500  1.7500  1.0950
  Mo  2.1600  1.4500  0.7750
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [P1]
_cell_length_a [5.4699]
_cell_length_b [5.5046]
_cell_length_c [5.8816]
_cell_angle_alpha [62.1482]
_cell_angle_beta [89.3814]
_cell_angle_gamma [60.2698]
_symmetry_Int_Tables_number [1]
_chemical_formula_structural [LiTm2MoO6]
_chemical_formula_sum '[Li1 Tm2 Mo1 O6]'
_cell_volume [130.2194]
_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  0.2152  0.5611  0.6584  1.0
  Tm  Tm1  1  0.4720  0.0436  0.4266  1.0
  Tm  Tm2  1  0.9730  0.0517  0.9369  1.0
  Mo  Mo3  1  0.6768  0.6441  0.0344  1.0
  O  O4  1  0.0452  0.1889  0.2278  1.0
  O  O5  1  0.3067  0.1165  0.7634  1.0
  O  O6  1  0.4230  0.5410  0.2177  1.0
  O  O7  1  0.5797  0.5464  0.7527  1.0
  O  O8  1  0.7761  0.8124  0.2307  1.0
  O  O9  1  0.8707  0.8174  0.7667  1.0
]