data_[Tm1Zr1Cr2O6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Tm  1.2500  1.7500  1.0950
  Zr  1.3300  1.5500  0.8600
  Cr  1.6600  1.4000  0.9400
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [P1]
_cell_length_a [5.3332]
_cell_length_b [5.4307]
_cell_length_c [5.6900]
_cell_angle_alpha [63.0828]
_cell_angle_beta [89.9103]
_cell_angle_gamma [61.0082]
_symmetry_Int_Tables_number [1]
_chemical_formula_structural [TmZrCr2O6]
_chemical_formula_sum '[Tm1 Zr1 Cr2 O6]'
_cell_volume [123.4180]
_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  0.7995  0.3984  0.4150  1.0
  Zr  Zr1  1  0.3126  0.3793  0.9397  1.0
  Cr  Cr2  1  0.0140  0.9724  0.0387  1.0
  Cr  Cr3  1  0.5205  0.9557  0.5614  1.0
  O  O4  1  0.1135  0.5108  0.2283  1.0
  O  O5  1  0.2254  0.8548  0.7643  1.0
  O  O6  1  0.3849  0.8872  0.2507  1.0
  O  O7  1  0.6250  0.1533  0.7630  1.0
  O  O8  1  0.7274  0.1360  0.2505  1.0
  O  O9  1  0.9388  0.4289  0.7732  1.0
]