data_[Nd2Ho2Mg8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Nd  1.1400  1.8500  1.2765
  Ho  1.2300  1.7500  1.0410
  Mg  1.3100  1.5000  0.8600
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [13.9077]
_cell_length_b [3.4438]
_cell_length_c [6.8461]
_cell_angle_alpha [90.0000]
_cell_angle_beta [104.2214]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [NdHoMg4]
_chemical_formula_sum '[Nd2 Ho2 Mg8]'
_cell_volume [317.8481]
_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
[
  Nd  Nd0  2  0.0000  0.0000  0.0000  1
  Ho  Ho1  2  0.0000  0.0000  0.5000  1
  Mg  Mg2  4  0.1745  0.5000  0.3422  1
  Mg  Mg3  4  0.1774  0.5000  0.8336  1
]