data_YLuCr2O8
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.95
_cell_length_b   5.95
_cell_length_c   5.95
_cell_angle_alpha   106.06
_cell_angle_beta   106.06
_cell_angle_gamma   116.52
_symmetry_Int_Tables_number   1
_chemical_formula_structural   YLuCr2O8
_chemical_formula_sum   'Y1 Lu1 Cr2 O8'
_cell_volume   160.24
_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
  Y  Y0  1  0.0  0.0  0.13  1.0
  Lu  Lu1  1  0.58  0.0  0.56  1.0
  Cr  Cr2  1  0.0  0.58  0.56  1.0
  Cr  Cr3  1  0.0  0.0  0.0  1.0
  O  O4  1  0.31  0.58  0.45  1.0
  O  O5  1  0.27  0.0  0.58  1.0
  O  O6  1  0.34  0.0  0.09  1.0
  O  O7  1  0.82  0.0  0.09  1.0
  O  O8  1  0.58  0.31  0.55  1.0
  O  O9  1  0.0  0.27  0.68  1.0
  O  O10  1  0.58  0.76  0.04  1.0
  O  O11  1  0.58  0.24  0.04  1.0

data_YLuCr2O8
_symmetry_space_group_name_H-M   P1
_cell_length_a   5.95
_cell_length_b   5.95
_cell_length_c   5.95
_cell_angle_alpha   106.06
_cell_angle_beta   106.06
_cell_angle_gamma   116.52
_symmetry_Int_Tables_number   1
_chemical_formula_structural   YLuCr2O8
_chemical_formula_sum   'Y1 Lu1 Cr2 O8'
_cell_volume   160.24
_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
  Y  Y0  1  0.0  0.0  0.13  1.0
  Lu  Lu1  1  0.58  0.0  0.56  1.0
  Cr  Cr2  1  0.0  0.0  0.0  1.0
  Cr  Cr3  1  0.0  0.58  0.56  1.0
  O  O4  1  0.0  0.27  0.68  1.0
  O  O5  1  0.27  0.0  0.58  1.0
  O  O6  1  0.31  0.58  0.45  1.0
  O  O7  1  0.34  0.0  0.09  1.0
  O  O8  1  0.58  0.24  0.04  1.0
  O  O9  1  0.58  0.31  0.55  1.0
  O  O10  1  0.58  0.76  0.04  1.0
  O  O11  1  0.82  0.0  0.09  1.0

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