data_[Li1Tb2Mo1O6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Li  0.9800  1.4500  0.9000
  Tb  1.1000  1.7500  0.9815
  Mo  2.1600  1.4500  0.7750
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [P1]
_cell_length_a [5.5443]
_cell_length_b [5.5779]
_cell_length_c [5.8064]
_cell_angle_alpha [61.4378]
_cell_angle_beta [89.2461]
_cell_angle_gamma [60.2272]
_symmetry_Int_Tables_number [1]
_chemical_formula_structural [LiTb2MoO6]
_chemical_formula_sum '[Li1 Tb2 Mo1 O6]'
_cell_volume [130.8373]
_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  0.2005  0.5873  0.6177  1.0
  Tb  Tb1  1  0.4658  0.0544  0.4112  1.0
  Tb  Tb2  1  0.9669  0.0645  0.9163  1.0
  Mo  Mo3  1  0.6803  0.6395  0.0419  1.0
  O  O4  1  0.0320  0.1756  0.2434  1.0
  O  O5  1  0.3218  0.1195  0.7716  1.0
  O  O6  1  0.4256  0.5509  0.2337  1.0
  O  O7  1  0.5623  0.5549  0.7591  1.0
  O  O8  1  0.8028  0.7831  0.2475  1.0
  O  O9  1  0.8805  0.7937  0.7728  1.0
]