data_Ni4(GeAs3)3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.23
_cell_length_b   7.23
_cell_length_c   8.29
_cell_angle_alpha   124.97
_cell_angle_beta   124.97
_cell_angle_gamma   71.21
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ni4(GeAs3)3
_chemical_formula_sum   'Ni4 Ge3 As9'
_cell_volume   291.12
_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
  Ni  Ni0  1  0.02  0.89  0.95  1.0
  Ni  Ni1  1  0.02  0.11  0.95  1.0
  Ni  Ni2  1  0.98  0.09  0.87  1.0
  Ni  Ni3  1  0.98  0.91  0.87  1.0
  Ge  Ge4  1  0.76  0.0  0.97  1.0
  Ge  Ge5  1  0.16  0.0  0.91  1.0
  Ge  Ge6  1  0.93  0.0  0.13  1.0
  As  As7  1  0.0  0.0  0.73  1.0
  As  As8  1  0.77  0.32  0.9  1.0
  As  As9  1  0.15  0.7  0.99  1.0
  As  As10  1  0.77  0.68  0.9  1.0
  As  As11  1  0.15  0.3  0.99  1.0
  As  As12  1  0.88  0.08  0.02  1.0
  As  As13  1  0.04  0.93  0.86  1.0
  As  As14  1  0.04  0.07  0.86  1.0
  As  As15  1  0.88  0.92  0.02  1.0

data_Ni4(GeAs3)3
_symmetry_space_group_name_H-M   P1
_cell_length_a   7.23
_cell_length_b   7.23
_cell_length_c   7.23
_cell_angle_alpha   109.56
_cell_angle_beta   110.08
_cell_angle_gamma   108.77
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ni4(GeAs3)3
_chemical_formula_sum   'Ni4 Ge3 As9'
_cell_volume   291.12
_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
  Ni  Ni0  1  0.04  0.91  0.02  1.0
  Ni  Ni1  1  0.16  0.11  0.18  1.0
  Ni  Ni2  1  0.22  0.09  0.2  1.0
  Ni  Ni3  1  0.95  0.89  0.96  1.0
  Ge  Ge4  1  0.03  0.0  0.79  1.0
  Ge  Ge5  1  0.09  0.0  0.25  1.0
  Ge  Ge6  1  0.87  0.0  0.79  1.0
  As  As7  1  0.06  0.08  0.94  1.0
  As  As8  1  0.07  0.93  0.11  1.0
  As  As9  1  0.21  0.07  0.25  1.0
  As  As10  1  0.27  0.0  0.27  1.0
  As  As11  1  0.31  0.3  0.46  1.0
  As  As12  1  0.41  0.32  0.19  1.0
  As  As13  1  0.71  0.7  0.86  1.0
  As  As14  1  0.78  0.68  0.56  1.0
  As  As15  1  0.9  0.92  0.78  1.0

Ni Ni Ni Ni Ge Ge Ge As As As As As As As As As