data_[Lu12Ta4O28]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Lu  1.2700  1.7500  1.0010
  Ta  1.5000  1.4500  0.8200
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [Pnma]
_cell_length_a [7.3418]
_cell_length_b [10.3990]
_cell_length_c [7.4117]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [62]
_chemical_formula_structural [Lu3TaO7]
_chemical_formula_sum '[Lu12 Ta4 O28]'
_cell_volume [565.8735]
_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
[
  Lu  Lu0  8  0.2485  0.0188  0.4693  1
  Lu  Lu1  4  0.0124  0.2500  0.7953  1
  Ta  Ta2  4  0.0007  0.2500  0.2528  1
  O  O3  8  0.0371  0.1231  0.0440  1
  O  O4  8  0.0410  0.6110  0.5786  1
  O  O5  8  0.2456  0.6156  0.2308  1
  O  O6  4  0.2490  0.2500  0.3405  1
]