data_Gd2Ni12As7
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.36
_cell_length_b   9.36
_cell_length_c   3.84
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Gd2Ni12As7
_chemical_formula_sum   'Gd2 Ni12 As7'
_cell_volume   291.17
_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
  Gd  Gd7  1  1.0  0.4  0.0  1.0
  Gd  Gd8  1  0.68  0.7  0.92  1.0
  Ni  Ni9  1  0.83  0.47  0.0  1.0
  Ni  Ni10  1  0.09  0.26  0.0  1.0
  Ni  Ni11  1  0.04  0.08  0.0  1.0
  Ni  Ni12  1  0.17  0.56  0.0  1.0
  Ni  Ni13  1  0.24  0.89  0.0  1.0
  Ni  Ni14  1  0.67  0.05  0.0  1.0
  Ni  Ni15  1  0.51  0.78  0.92  1.0
  Ni  Ni16  1  0.93  0.92  0.92  1.0
  Ni  Ni17  1  0.53  0.44  0.92  1.0
  Ni  Ni18  1  0.54  0.06  0.92  1.0
  Ni  Ni19  1  0.59  0.41  0.92  1.0
  Ni  Ni20  1  0.93  0.71  0.92  1.0
  As  As0  1  0.0  0.0  0.0  1.0
  As  As1  1  0.13  0.93  0.0  1.0
  As  As2  1  0.42  0.33  0.0  1.0
  As  As3  1  0.48  0.84  0.0  1.0
  As  As4  1  0.11  0.29  0.92  1.0
  As  As5  1  0.28  0.68  0.92  1.0
  As  As6  1  0.62  0.23  0.92  1.0

data_Gd2Ni12As7
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.84
_cell_length_b   9.36
_cell_length_c   9.36
_cell_angle_alpha   120.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Gd2Ni12As7
_chemical_formula_sum   'Gd2 Ni12 As7'
_cell_volume   291.17
_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
  Gd  Gd0  1  -0.0  1.0  0.4  1.0
  Gd  Gd1  1  0.92  0.68  0.7  1.0
  Ni  Ni2  1  -0.0  0.83  0.47  1.0
  Ni  Ni3  1  -0.0  0.24  0.89  1.0
  Ni  Ni4  1  -0.0  0.09  0.26  1.0
  Ni  Ni5  1  -0.0  0.17  0.56  1.0
  Ni  Ni6  1  -0.0  0.67  0.05  1.0
  Ni  Ni7  1  -0.0  0.04  0.08  1.0
  Ni  Ni8  1  0.92  0.51  0.78  1.0
  Ni  Ni9  1  0.92  0.53  0.44  1.0
  Ni  Ni10  1  0.92  0.54  0.06  1.0
  Ni  Ni11  1  0.92  0.59  0.41  1.0
  Ni  Ni12  1  0.92  0.93  0.92  1.0
  Ni  Ni13  1  0.92  0.93  0.71  1.0
  As  As14  1  -0.0  0.48  0.84  1.0
  As  As15  1  -0.0  0.42  0.33  1.0
  As  As16  1  -0.0  0.13  0.93  1.0
  As  As17  1  0.0  0.0  0.0  1.0
  As  As18  1  0.92  0.11  0.29  1.0
  As  As19  1  0.92  0.28  0.68  1.0
  As  As20  1  0.92  0.62  0.23  1.0

Gd Gd Ni Ni Ni Ni Ni Ni Ni Ni Ni Ni Ni Ni As As As As As As As
Gd Gd Ni Ni Ni Ni Ni Ni Ni Ni Ni Ni Ni Ni As As As As As As As 0 18 + o - 0 3 + o o 0 5 + o o 0 2 o o o 1 10 o o o 1 8 o o o 1 12 o o o 1 13 o o o 1 9 o o o 2 20 o o - 2 12 o o - 2 13 o o - 3 18 o o - 4 14 o o o 5 19 o o - 6 15 o o o 7 11 o o - 8 17 o o + 9 14 + + + 9 13 o o o 10 12 o o o 10 16 o o + 11 20 o o o 13 15 + o + 