data_GdTa3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.46
_cell_length_b   5.46
_cell_length_c   5.46
_cell_angle_alpha   134.14
_cell_angle_beta   134.14
_cell_angle_gamma   66.87
_symmetry_Int_Tables_number   1
_chemical_formula_structural   GdTa3
_chemical_formula_sum   'Gd1 Ta3'
_cell_volume   82.65
_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  0.0  0.0  1.0
  Ta  Ta1  1  0.0  0.0  0.56  1.0
  Ta  Ta2  1  0.0  0.13  0.28  1.0
  Ta  Ta3  1  0.13  0.0  0.28  1.0

data_GdTa3
_symmetry_space_group_name_H-M   Cm
_cell_length_a   6.02
_cell_length_b   6.02
_cell_length_c   5.46
_cell_angle_alpha   90.0
_cell_angle_beta   123.44
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   GdTa3
_chemical_formula_sum   'Gd2 Ta6'
_cell_volume   165.31
_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
  Gd  Gd0  2  0.0  0.0  0.0  1.0
  Ta  Ta1  4  0.44  0.44  0.15  1.0
  Ta  Ta2  2  0.0  0.0  0.56  1.0

Gd Ta Ta Ta