data_NaHo3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.33
_cell_length_b   6.33
_cell_length_c   6.33
_cell_angle_alpha   134.99
_cell_angle_beta   134.99
_cell_angle_gamma   65.55
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NaHo3
_chemical_formula_sum   'Na1 Ho3'
_cell_volume   125.06
_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
  Na  Na0  1  0.0  0.0  0.0  1.0
  Ho  Ho1  1  0.0  0.42  0.66  1.0
  Ho  Ho2  1  0.42  0.0  0.66  1.0
  Ho  Ho3  1  0.0  0.0  0.32  1.0

data_NaHo3
_symmetry_space_group_name_H-M   Cm
_cell_length_a   6.85
_cell_length_b   6.85
_cell_length_c   6.33
_cell_angle_alpha   90.0
_cell_angle_beta   122.77
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   NaHo3
_chemical_formula_sum   'Na2 Ho6'
_cell_volume   250.12
_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
  Na  Na0  2  0.0  0.0  0.0  1.0
  Ho  Ho1  4  0.29  0.29  0.24  1.0
  Ho  Ho2  2  0.0  0.0  0.32  1.0

Na Ho Ho Ho