data_Er6CoBr10
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.28
_cell_length_b   9.02
_cell_length_c   9.1
_cell_angle_alpha   108.27
_cell_angle_beta   97.12
_cell_angle_gamma   105.3
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Er6CoBr10
_chemical_formula_sum   'Er6 Co1 Br10'
_cell_volume   533.63
_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
  Er  Er0  1  0.7  0.84  0.95  1.0
  Er  Er1  1  0.08  0.59  0.48  1.0
  Er  Er2  1  0.3  0.22  0.76  1.0
  Er  Er3  1  0.47  0.21  0.67  1.0
  Er  Er4  1  0.87  0.53  0.04  1.0
  Er  Er5  1  0.91  0.9  0.38  1.0
  Co  Co6  1  0.0  0.0  0.0  1.0
  Br  Br7  1  0.54  0.58  0.69  1.0
  Br  Br8  1  0.24  0.85  0.74  1.0
  Br  Br9  1  0.05  0.31  0.49  1.0
  Br  Br10  1  0.73  0.12  0.94  1.0
  Br  Br11  1  0.96  0.89  0.46  1.0
  Br  Br12  1  0.81  0.54  0.96  1.0
  Br  Br13  1  0.64  0.18  0.53  1.0
  Br  Br14  1  0.13  0.24  0.89  1.0
  Br  Br15  1  0.59  0.35  0.11  1.0
  Br  Br16  1  0.19  0.08  0.31  1.0

data_Er6CoBr10
_symmetry_space_group_name_H-M   P1
_cell_length_a   7.28
_cell_length_b   9.02
_cell_length_c   9.1
_cell_angle_alpha   108.27
_cell_angle_beta   97.12
_cell_angle_gamma   105.3
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Er6CoBr10
_chemical_formula_sum   'Er6 Co1 Br10'
_cell_volume   533.63
_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
  Er  Er0  1  0.08  0.59  0.48  1.0
  Er  Er1  1  0.3  0.22  0.76  1.0
  Er  Er2  1  0.47  0.21  0.67  1.0
  Er  Er3  1  0.7  0.84  0.95  1.0
  Er  Er4  1  0.87  0.53  0.04  1.0
  Er  Er5  1  0.91  0.9  0.38  1.0
  Co  Co6  1  0.0  0.0  0.0  1.0
  Br  Br7  1  0.05  0.31  0.49  1.0
  Br  Br8  1  0.13  0.24  0.89  1.0
  Br  Br9  1  0.19  0.08  0.31  1.0
  Br  Br10  1  0.24  0.85  0.74  1.0
  Br  Br11  1  0.54  0.58  0.69  1.0
  Br  Br12  1  0.59  0.35  0.11  1.0
  Br  Br13  1  0.64  0.18  0.53  1.0
  Br  Br14  1  0.73  0.12  0.94  1.0
  Br  Br15  1  0.81  0.54  0.96  1.0
  Br  Br16  1  0.96  0.89  0.46  1.0

Er Er Er Er Er Er Co Br Br Br Br Br Br Br Br Br Br
Er Er Er Er Er Er Co Br Br Br Br Br Br Br Br Br Br 0 7 o o o 0 10 o + o 0 6 + + + 1 9 o o o 1 8 o o o 2 14 o o o 2 3 o o o 2 8 o - o 3 13 o o o 3 7 o o o 3 8 o - o 4 12 o o - 4 15 o o o 5 11 o o o 5 16 + + o 6 10 - o - 6 14 o o - 6 16 o o o 6 8 o - - 7 12 o o o 8 11 - o o 9 13 - o o 9 16 o o o 10 15 o o + 10 14 + o o 11 16 + + o 12 15 o o + 