data_[La6Y12Ho4Mg2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  La  1.1000  1.9500  1.1720
  Y  1.2200  1.8000  1.0400
  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 [6.2468]
_cell_length_b [10.8179]
_cell_length_c [11.8410]
_cell_angle_alpha [90.0000]
_cell_angle_beta [100.2524]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [La3Y6Ho2Mg]
_chemical_formula_sum '[La6 Y12 Ho4 Mg2]'
_cell_volume [787.3982]
_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
[
  La  La0  4  0.0000  0.1659  0.5000  1.0
  La  La1  2  0.0000  0.5000  0.5000  1.0
  Y  Y2  8  0.2460  0.1657  0.2423  1.0
  Y  Y3  4  0.2481  0.5000  0.2422  1.0
  Ho  Ho4  4  0.0000  0.3339  0.0000  1.0
  Mg  Mg5  2  0.0000  0.0000  0.0000  1.0
]