data_[Ho2Mg22Cu2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ho  1.2300  1.7500  1.0410
  Mg  1.3100  1.5000  0.8600
  Cu  1.9000  1.3500  0.8200
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [5.7106]
_cell_length_b [14.2779]
_cell_length_c [7.6030]
_cell_angle_alpha [90.0000]
_cell_angle_beta [110.5898]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [HoMg11Cu]
_chemical_formula_sum '[Ho2 Mg22 Cu2]'
_cell_volume [580.3177]
_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  0.0000  0.0000  0.0000  1
  Mg  Mg1  8  0.0956  0.3976  0.2175  1
  Mg  Mg2  8  0.1833  0.1704  0.3568  1
  Mg  Mg3  4  0.2500  0.2500  0.0000  1
  Mg  Mg4  2  0.0000  0.0000  0.5000  1
  Cu  Cu5  2  0.0000  0.5000  0.5000  1
]