data_AcTmO3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.29
_cell_length_b   6.29
_cell_length_c   6.29
_cell_angle_alpha   56.85
_cell_angle_beta   56.85
_cell_angle_gamma   56.85
_symmetry_Int_Tables_number   1
_chemical_formula_structural   AcTmO3
_chemical_formula_sum   'Ac2 Tm2 O6'
_cell_volume   163.09
_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
  Ac  Ac0  1  0.0  0.0  0.71  1.0
  Ac  Ac1  1  0.0  0.0  0.06  1.0
  Tm  Tm8  1  0.0  0.0  0.23  1.0
  Tm  Tm9  1  0.0  0.0  0.53  1.0
  O  O2  1  0.31  0.13  0.27  1.0
  O  O3  1  0.72  0.54  0.27  1.0
  O  O4  1  0.97  0.34  0.27  1.0
  O  O5  1  0.03  0.66  0.5  1.0
  O  O6  1  0.28  0.46  0.5  1.0
  O  O7  1  0.69  0.87  0.5  1.0

data_AcTmO3
_symmetry_space_group_name_H-M   P-1
_cell_length_a   5.99
_cell_length_b   5.99
_cell_length_c   6.29
_cell_angle_alpha   61.58
_cell_angle_beta   61.58
_cell_angle_gamma   60.0
_symmetry_Int_Tables_number   2
_chemical_formula_structural   AcTmO3
_chemical_formula_sum   'Ac2 Tm2 O6'
_cell_volume   163.09
_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
  Ac  Ac0  2  0.0  0.18  0.32  1.0
  Tm  Tm1  2  0.0  0.35  0.15  1.0
  O  O2  2  0.13  0.39  0.68  1.0
  O  O3  2  0.34  0.39  0.81  1.0
  O  O4  2  0.46  0.61  0.15  1.0

Ac Ac Tm Tm O O O O O O