data_[Ho2Mg8Zr4]
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
  Zr  1.3300  1.5500  0.8600
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [3.1356]
_cell_length_b [37.4826]
_cell_length_c [3.1198]
_cell_angle_alpha [90.0000]
_cell_angle_beta [113.1708]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Ho(Mg2Zr)2]
_chemical_formula_sum '[Ho2 Mg8 Zr4]'
_cell_volume [337.0997]
_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  0.5000  0.0000  1
  Mg  Mg1  4  0.0000  0.0753  0.5000  1
  Mg  Mg2  4  0.0000  0.3547  0.0000  1
  Zr  Zr3  4  0.0000  0.2157  0.5000  1
]