data_NdTm3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.2
_cell_length_b   7.2
_cell_length_c   5.68
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NdTm3
_chemical_formula_sum   'Nd2 Tm6'
_cell_volume   254.94
_cell_formula_units_Z   2
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
  Nd  Nd0  1  0.0  0.16  0.42  1.0
  Nd  Nd1  1  0.6  0.08  0.26  1.0
  Tm  Tm2  1  0.0  0.05  0.26  1.0
  Tm  Tm3  1  0.18  0.21  0.26  1.0
  Tm  Tm4  1  0.82  0.21  0.26  1.0
  Tm  Tm5  1  0.6  0.18  0.42  1.0
  Tm  Tm6  1  0.42  0.03  0.42  1.0
  Tm  Tm7  1  0.78  0.03  0.42  1.0

data_NdTm3
_symmetry_space_group_name_H-M   P-1
_cell_length_a   5.68
_cell_length_b   7.2
_cell_length_c   7.2
_cell_angle_alpha   120.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   2
_chemical_formula_structural   NdTm3
_chemical_formula_sum   'Nd2 Tm6'
_cell_volume   254.94
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  '-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
  Nd  Nd0  2  0.08  0.7  0.04  1.0
  Tm  Tm1  2  0.08  0.12  0.91  1.0
  Tm  Tm2  2  0.08  0.3  0.07  1.0
  Tm  Tm3  2  0.08  0.48  0.91  1.0

Nd Nd Tm Tm Tm Tm Tm Tm
Nd Nd Tm Tm Tm Tm Tm Tm 0 7 - o o 0 2 o o o 0 3 o o o 1 6 o o o 1 5 o o o 1 4 o o o 2 3 o o o 4 7 o o o 5 6 o o o 