data_[Th2Zr2Si4O14]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Th  1.3000  1.8000  1.0800
  Zr  1.3300  1.5500  0.8600
  Si  1.9000  1.1000  0.5400
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [C2]
_cell_length_a [7.1006]
_cell_length_b [8.4644]
_cell_length_c [5.0405]
_cell_angle_alpha [90.0000]
_cell_angle_beta [96.6761]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [5]
_chemical_formula_structural [ThZrSi2O7]
_chemical_formula_sum '[Th2 Zr2 Si4 O14]'
_cell_volume [300.8928]
_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
[
  Th  Th0  2  0.0000  0.6864  0.5000  1
  Zr  Zr1  2  0.0000  0.3231  0.5000  1
  Si  Si2  4  0.2152  0.9952  0.9171  1
  O  O3  4  0.1395  0.4970  0.8066  1
  O  O4  4  0.2285  0.1583  0.7427  1
  O  O5  4  0.2404  0.3450  0.2779  1
  O  O6  2  0.0000  0.9601  0.0000  1
]