data_[Ho1Hf1Cr2O6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ho  1.2300  1.7500  1.0410
  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 [5.3203]
_cell_length_b [5.4087]
_cell_length_c [5.6939]
_cell_angle_alpha [63.2960]
_cell_angle_beta [89.8897]
_cell_angle_gamma [60.9267]
_symmetry_Int_Tables_number [1]
_chemical_formula_structural [HoHfCr2O6]
_chemical_formula_sum '[Ho1 Hf1 Cr2 O6]'
_cell_volume [122.9144]
_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
[
  Ho  Ho0  1  0.7978  0.4018  0.4117  1.0
  Hf  Hf1  1  0.3153  0.3728  0.9474  1.0
  Cr  Cr2  1  0.0129  0.9747  0.0351  1.0
  Cr  Cr3  1  0.5202  0.9542  0.5647  1.0
  O  O4  1  0.1173  0.5114  0.2251  1.0
  O  O5  1  0.2293  0.8449  0.7675  1.0
  O  O6  1  0.3793  0.8965  0.2470  1.0
  O  O7  1  0.6204  0.1568  0.7648  1.0
  O  O8  1  0.7244  0.1348  0.2479  1.0
  O  O9  1  0.9448  0.4288  0.7736  1.0
]