data_Tm2Ni12P7
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.02
_cell_length_b   9.02
_cell_length_c   3.66
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Tm2Ni12P7
_chemical_formula_sum   'Tm2 Ni12 P7'
_cell_volume   257.77
_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
  Tm  Tm0  1  0.51  0.6  0.83  1.0
  Tm  Tm1  1  0.0  0.21  0.0  1.0
  Ni  Ni2  1  0.65  0.48  0.0  1.0
  Ni  Ni3  1  0.1  0.41  0.0  1.0
  Ni  Ni4  1  0.78  0.92  0.0  1.0
  Ni  Ni5  1  0.14  0.15  0.0  1.0
  Ni  Ni6  1  0.28  0.61  0.0  1.0
  Ni  Ni7  1  0.58  0.85  0.0  1.0
  Ni  Ni8  1  0.5  0.37  0.83  1.0
  Ni  Ni9  1  0.66  0.82  0.83  1.0
  Ni  Ni10  1  0.84  0.42  0.83  1.0
  Ni  Ni11  1  0.54  0.74  0.83  1.0
  Ni  Ni12  1  0.38  0.11  0.83  1.0
  Ni  Ni13  1  0.61  0.96  0.83  1.0
  P  P14  1  0.0  0.0  0.0  1.0
  P  P15  1  0.36  0.29  0.0  1.0
  P  P16  1  0.31  0.62  0.0  1.0
  P  P17  1  0.85  0.9  0.0  1.0
  P  P18  1  0.18  0.18  0.83  1.0
  P  P19  1  0.65  0.93  0.83  1.0
  P  P20  1  0.17  0.51  0.83  1.0

data_Tm2Ni12P7
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.66
_cell_length_b   9.02
_cell_length_c   9.02
_cell_angle_alpha   120.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Tm2Ni12P7
_chemical_formula_sum   'Tm2 Ni12 P7'
_cell_volume   257.77
_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
  Tm  Tm0  1  -0.0  -0.0  0.21  1.0
  Tm  Tm1  1  0.83  0.51  0.6  1.0
  Ni  Ni2  1  -0.0  0.78  0.92  1.0
  Ni  Ni3  1  -0.0  0.65  0.48  1.0
  Ni  Ni4  1  -0.0  0.1  0.41  1.0
  Ni  Ni5  1  -0.0  0.58  0.85  1.0
  Ni  Ni6  1  -0.0  0.28  0.61  1.0
  Ni  Ni7  1  -0.0  0.14  0.15  1.0
  Ni  Ni8  1  0.83  0.38  0.11  1.0
  Ni  Ni9  1  0.83  0.5  0.37  1.0
  Ni  Ni10  1  0.83  0.54  0.74  1.0
  Ni  Ni11  1  0.83  0.61  0.96  1.0
  Ni  Ni12  1  0.83  0.66  0.82  1.0
  Ni  Ni13  1  0.83  0.84  0.42  1.0
  P  P14  1  -0.0  0.85  0.9  1.0
  P  P15  1  -0.0  0.36  0.29  1.0
  P  P16  1  -0.0  0.31  0.62  1.0
  P  P17  1  0.0  0.0  0.0  1.0
  P  P18  1  0.83  0.17  0.51  1.0
  P  P19  1  0.83  0.18  0.18  1.0
  P  P20  1  0.83  0.65  0.93  1.0

Tm Tm Ni Ni Ni Ni Ni Ni Ni Ni Ni Ni Ni Ni P P P P P P P