data_TbCrO4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.58
_cell_length_b   6.58
_cell_length_c   6.58
_cell_angle_alpha   135.52
_cell_angle_beta   135.52
_cell_angle_gamma   64.73
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TbCrO4
_chemical_formula_sum   'Tb2 Cr2 O8'
_cell_volume   138.17
_cell_formula_units_Z   2
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  Tb10  1  0.0  0.0  0.56  1.0
  Tb  Tb11  1  0.49  0.0  0.78  1.0
  Cr  Cr0  1  0.0  0.0  0.0  1.0
  Cr  Cr1  1  0.0  0.49  0.78  1.0
  O  O2  1  0.74  0.21  0.67  1.0
  O  O3  1  0.75  0.28  0.11  1.0
  O  O4  1  0.21  0.75  0.45  1.0
  O  O5  1  0.28  0.74  0.89  1.0
  O  O6  1  0.75  0.79  0.67  1.0
  O  O7  1  0.74  0.7  0.11  1.0
  O  O8  1  0.28  0.23  0.89  1.0
  O  O9  1  0.21  0.26  0.45  1.0

data_TbCrO4
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.98
_cell_length_b   4.98
_cell_length_c   6.58
_cell_angle_alpha   112.24
_cell_angle_beta   112.24
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TbCrO4
_chemical_formula_sum   'Tb2 Cr2 O8'
_cell_volume   138.17
_cell_formula_units_Z   2
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  0.22  0.0  0.71  1.0
  Tb  Tb1  1  0.44  0.0  0.44  1.0
  Cr  Cr2  1  0.0  0.0  0.0  1.0
  Cr  Cr3  1  0.71  0.49  0.71  1.0
  O  O4  1  0.11  0.79  0.87  1.0
  O  O5  1  0.17  0.28  0.93  1.0
  O  O6  1  0.3  0.75  0.52  1.0
  O  O7  1  0.34  0.23  0.62  1.0
  O  O8  1  0.54  0.21  0.28  1.0
  O  O9  1  0.59  0.7  0.33  1.0
  O  O10  1  0.81  0.26  0.02  1.0
  O  O11  1  0.85  0.74  0.13  1.0

Tb Tb Cr Cr O O O O O O O O
Tb Tb Cr Cr O O O O O O O O 0 9 - - o 0 4 - o o 0 6 o - o 0 10 o o o 0 3 o o o 1 6 o - o 1 10 o o o 1 8 o - o 1 5 o o + 2 8 - - - 2 11 o o o 2 3 o - - 2 4 - o - 2 5 - o o 2 7 o - - 3 5 - o o 3 4 - o o 3 8 - o o 3 11 o o o 3 10 o o o 3 7 o o o 3 6 o o + 4 9 o o + 4 9 o - o 4 11 o o o 4 5 o o + 7 8 - o o 7 9 o o + 7 11 o o o 