data_[Tm4Ta4O16]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Tm  1.2500  1.7500  1.0950
  Ta  1.5000  1.4500  0.8200
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [Cmc2_1]
_cell_length_a [3.8440]
_cell_length_b [15.5450]
_cell_length_c [5.4096]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [36]
_chemical_formula_structural [TmTaO4]
_chemical_formula_sum '[Tm4 Ta4 O16]'
_cell_volume [323.2467]
_cell_formula_units_Z [4]
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
[
  Tm  Tm0  4  0.0000  0.2002  0.6234  1.0
  Ta  Ta1  4  0.0000  0.4140  0.6910  1.0
  O  O2  4  0.0000  0.1019  0.2583  1.0
  O  O3  4  0.0000  0.2984  0.9158  1.0
  O  O4  4  0.0000  0.3308  0.4147  1.0
  O  O5  4  0.0000  0.4829  0.0120  1.0
]