data_[Tm2Zr2O8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Tm  1.2500  1.7500  1.0950
  Zr  1.3300  1.5500  0.8600
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [P2_1/c]
_cell_length_a [6.0543]
_cell_length_b [5.0530]
_cell_length_c [6.0345]
_cell_angle_alpha [90.0000]
_cell_angle_beta [111.9191]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [14]
_chemical_formula_structural [TmZrO4]
_chemical_formula_sum '[Tm2 Zr2 O8]'
_cell_volume [171.2623]
_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
[
  Tm  Tm0  2  0.0000  0.0000  0.0000  1
  Zr  Zr1  2  0.5000  0.0000  0.5000  1
  O  O2  4  0.1626  0.6814  0.8615  1
  O  O3  4  0.3604  0.2037  0.1633  1
]