data_[Tm4Zr3O12]
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 [P-1]
_cell_length_a [6.3251]
_cell_length_b [6.3594]
_cell_length_c [6.5233]
_cell_angle_alpha [99.8477]
_cell_angle_beta [98.7848]
_cell_angle_gamma [99.4749]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [Tm4Zr3O12]
_chemical_formula_sum '[Tm4 Zr3 O12]'
_cell_volume [250.5410]
_cell_formula_units_Z [1]
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  0.3067  0.1351  0.6101  1.0
  Tm  Tm1  2  0.3894  0.6991  0.8652  1.0
  Zr  Zr2  2  0.1513  0.6045  0.3276  1.0
  Zr  Zr3  1  0.0000  0.0000  0.0000  1.0
  O  O4  2  0.0333  0.6773  0.8895  1.0
  O  O5  2  0.0815  0.9194  0.3107  1.0
  O  O6  2  0.1749  0.4283  0.5743  1.0
  O  O7  2  0.3167  0.0702  0.9385  1.0
  O  O8  2  0.4162  0.5816  0.1780  1.0
  O  O9  2  0.4167  0.8140  0.5691  1.0
]