data_[Tb1Cr1Cu1O6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Tb  1.1000  1.7500  0.9815
  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 [4.3335]
_cell_length_b [4.4608]
_cell_length_c [6.9278]
_cell_angle_alpha [88.0241]
_cell_angle_beta [75.8399]
_cell_angle_gamma [75.5243]
_symmetry_Int_Tables_number [1]
_chemical_formula_structural [TbCrCuO6]
_chemical_formula_sum '[Tb1 Cr1 Cu1 O6]'
_cell_volume [125.6771]
_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
[
  Tb  Tb0  1  0.8154  0.0660  0.7628  1.0
  Cr  Cr1  1  0.4832  0.0951  0.3303  1.0
  Cu  Cu2  1  0.0325  0.4793  0.0255  1.0
  O  O3  1  0.2514  0.8971  0.4769  1.0
  O  O4  1  0.2577  0.1274  0.8821  1.0
  O  O5  1  0.2621  0.3890  0.2249  1.0
  O  O6  1  0.6528  0.2520  0.4767  1.0
  O  O7  1  0.7757  0.8721  0.1473  1.0
  O  O8  1  0.8110  0.5618  0.8321  1.0
]