data_[Tm1Hf1Cr2O6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Tm  1.2500  1.7500  1.0950
  Hf  1.3000  1.5500  0.8500
  Cr  1.6600  1.4000  0.9400
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [P1]
_cell_length_a [5.3058]
_cell_length_b [5.3915]
_cell_length_c [5.6843]
_cell_angle_alpha [63.2241]
_cell_angle_beta [89.8805]
_cell_angle_gamma [60.9224]
_symmetry_Int_Tables_number [1]
_chemical_formula_structural [TmHfCr2O6]
_chemical_formula_sum '[Tm1 Hf1 Cr2 O6]'
_cell_volume [121.8734]
_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  1  0.8003  0.3976  0.4169  1.0
  Hf  Hf1  1  0.3152  0.3729  0.9479  1.0
  Cr  Cr2  1  0.0131  0.9742  0.0361  1.0
  Cr  Cr3  1  0.5208  0.9542  0.5644  1.0
  O  O4  1  0.1120  0.5109  0.2247  1.0
  O  O5  1  0.2259  0.8478  0.7649  1.0
  O  O6  1  0.3849  0.8910  0.2474  1.0
  O  O7  1  0.6199  0.1596  0.7630  1.0
  O  O8  1  0.7242  0.1398  0.2479  1.0
  O  O9  1  0.9454  0.4289  0.7715  1.0
]