data_[La6Ho3Zr3]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  La  1.1000  1.9500  1.1720
  Ho  1.2300  1.7500  1.0410
  Zr  1.3300  1.5500  0.8600
]
_symmetry_space_group_name_H-M [R-3m]
_cell_length_a [3.4232]
_cell_length_b [3.4232]
_cell_length_c [36.6214]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [166]
_chemical_formula_structural [La2HoZr]
_chemical_formula_sum '[La6 Ho3 Zr3]'
_cell_volume [371.6475]
_cell_formula_units_Z [3]
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  6  0.0000  0.0000  0.0839  1
  Ho  Ho1  3  -0.0000  -0.0000  0.5000  1
  Zr  Zr2  3  0.0000  0.0000  0.0000  1
]