data_[Y1Zr4Rh5]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Y  1.2200  1.8000  1.0400
  Zr  1.3300  1.5500  0.8600
  Rh  2.2800  1.3500  0.7450
]
_symmetry_space_group_name_H-M [P4/mmm]
_cell_length_a [3.3247]
_cell_length_b [3.3247]
_cell_length_c [16.7226]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [123]
_chemical_formula_structural [YZr4Rh5]
_chemical_formula_sum '[Y1 Zr4 Rh5]'
_cell_volume [184.8504]
_cell_formula_units_Z [1]
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
[
  Y  Y0  1  0.0000  0.0000  0.0000  1
  Zr  Zr1  2  0.0000  0.0000  0.2056  1
  Zr  Zr2  2  0.0000  0.0000  0.4026  1
  Rh  Rh3  2  0.5000  0.5000  0.1156  1
  Rh  Rh4  2  0.5000  0.5000  0.3055  1
  Rh  Rh5  1  0.5000  0.5000  0.5000  1
]