data_[Ho1Cr1Cu1O6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ho  1.2300  1.7500  1.0410
  Cr  1.6600  1.4000  0.9400
  Cu  1.9000  1.3500  0.8200
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [P1]
_cell_length_a [4.2934]
_cell_length_b [4.4059]
_cell_length_c [6.9264]
_cell_angle_alpha [88.1561]
_cell_angle_beta [75.9338]
_cell_angle_gamma [76.3558]
_symmetry_Int_Tables_number [1]
_chemical_formula_structural [HoCrCuO6]
_chemical_formula_sum '[Ho1 Cr1 Cu1 O6]'
_cell_volume [123.4623]
_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  0.8147  0.0673  0.7609  1.0
  Cr  Cr1  1  0.4826  0.0948  0.3316  1.0
  Cu  Cu2  1  0.0356  0.4795  0.0240  1.0
  O  O3  1  0.2449  0.8960  0.4790  1.0
  O  O4  1  0.2589  0.1249  0.8797  1.0
  O  O5  1  0.2647  0.3893  0.2240  1.0
  O  O6  1  0.6530  0.2555  0.4790  1.0
  O  O7  1  0.7753  0.8698  0.1500  1.0
  O  O8  1  0.8120  0.5627  0.8304  1.0
]