data_AcHo3
_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   131.67
_cell_angle_beta   131.67
_cell_angle_gamma   70.75
_symmetry_Int_Tables_number   1
_chemical_formula_structural   AcHo3
_chemical_formula_sum   'Ac1 Ho3'
_cell_volume   136.2
_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
  Ac  Ac0  1  0.0  0.0  0.13  1.0
  Ho  Ho1  1  0.0  0.0  0.0  1.0
  Ho  Ho2  1  0.58  0.0  0.57  1.0
  Ho  Ho3  1  0.0  0.58  0.57  1.0

data_AcHo3
_symmetry_space_group_name_H-M   Cm
_cell_length_a   7.29
_cell_length_b   7.29
_cell_length_c   6.29
_cell_angle_alpha   90.0
_cell_angle_beta   125.38
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   AcHo3
_chemical_formula_sum   'Ac2 Ho6'
_cell_volume   272.41
_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
  Ac  Ac0  2  0.37  0.5  0.87  1.0
  Ho  Ho1  4  0.22  0.21  0.01  1.0
  Ho  Ho2  2  0.0  0.0  0.0  1.0

Ac Ho Ho Ho
Ac Ho Ho Ho 0 1 o o o 0 2 o o o 0 2 - o - 0 3 o - - 0 3 o o o 1 2 - o - 1 3 o - - 