data_[Lu1Cr1Cu1O6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Lu  1.2700  1.7500  1.0010
  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 [4.1853]
_cell_length_b [4.2461]
_cell_length_c [7.0264]
_cell_angle_alpha [89.0887]
_cell_angle_beta [76.3204]
_cell_angle_gamma [78.9120]
_symmetry_Int_Tables_number [1]
_chemical_formula_structural [LuCrCuO6]
_chemical_formula_sum '[Lu1 Cr1 Cu1 O6]'
_cell_volume [119.0060]
_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
[
  Lu  Lu0  1  0.8107  0.0770  0.7499  1
  Cr  Cr1  1  0.4832  0.0912  0.3346  1
  Cu  Cu2  1  0.0431  0.4791  0.0212  1
  O  O3  1  0.2242  0.8945  0.4809  1
  O  O4  1  0.2560  0.1220  0.8703  1
  O  O5  1  0.2828  0.3775  0.2139  1
  O  O6  1  0.6484  0.2736  0.4836  1
  O  O7  1  0.7852  0.8515  0.1703  1
  O  O8  1  0.8083  0.5734  0.8339  1
]