data_[Lu4Zr4O14]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Lu  1.2700  1.7500  1.0010
  Zr  1.3300  1.5500  0.8600
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [6.8994]
_cell_length_b [9.3784]
_cell_length_c [5.5970]
_cell_angle_alpha [90.0000]
_cell_angle_beta [100.3468]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Lu2Zr2O7]
_chemical_formula_sum '[Lu4 Zr4 O14]'
_cell_volume [356.2656]
_cell_formula_units_Z [2]
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  4  0.0000  0.3113  0.0000  1.0
  Zr  Zr1  4  0.2429  0.5000  0.6036  1.0
  O  O2  8  0.2314  0.1777  0.1955  1.0
  O  O3  4  0.0586  0.5000  0.2626  1.0
  O  O4  2  0.0000  0.0000  0.5000  1.0
]