data_Tb3Pm
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.22
_cell_length_b   6.22
_cell_length_c   6.22
_cell_angle_alpha   131.85
_cell_angle_beta   131.85
_cell_angle_gamma   70.46
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Tb3Pm
_chemical_formula_sum   'Tb3 Pm1'
_cell_volume   130.69
_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
  Tb  Tb0  1  0.0  0.54  0.54  1.0
  Tb  Tb1  1  0.54  0.0  0.54  1.0
  Tb  Tb2  1  0.0  0.0  0.08  1.0
  Pm  Pm3  1  0.0  0.0  0.0  1.0

data_Tb3Pm
_symmetry_space_group_name_H-M   Cm
_cell_length_a   7.17
_cell_length_b   7.17
_cell_length_c   6.22
_cell_angle_alpha   90.0
_cell_angle_beta   125.23
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   Tb3Pm
_chemical_formula_sum   'Tb6 Pm2'
_cell_volume   261.37
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  'x, -y, z'
  3  'x+1/2, y+1/2, z'
  4  'x+1/2, -y+1/2, 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
  Tb  Tb0  4  0.23  0.23  0.0  1.0
  Tb  Tb1  2  0.0  0.0  0.08  1.0
  Pm  Pm2  2  0.0  0.0  0.0  1.0

Tb Tb Tb Pm