data_[Ho2Er2Th28]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ho  1.2300  1.7500  1.0410
  Er  1.2400  1.7500  1.0300
  Th  1.3000  1.8000  1.0800
]
_symmetry_space_group_name_H-M [Amm2]
_cell_length_a [11.5672]
_cell_length_b [7.1666]
_cell_length_c [12.4115]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [38]
_chemical_formula_structural [HoErTh14]
_chemical_formula_sum '[Ho2 Er2 Th28]'
_cell_volume [1028.8814]
_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
[
  Ho  Ho0  2  0.5000  0.0000  0.0404  1
  Er  Er1  2  0.5000  0.0000  0.5406  1
  Th  Th2  8  0.2504  0.2499  0.6249  1
  Th  Th3  4  0.0000  0.2499  0.4579  1
  Th  Th4  4  0.2492  0.0000  0.8751  1
  Th  Th5  4  0.2495  0.0000  0.3752  1
  Th  Th6  4  0.5000  0.2499  0.7940  1
  Th  Th7  2  0.0000  0.0000  0.2075  1
  Th  Th8  2  0.0000  0.0000  0.7075  1
]