data_[Ca1Ho1Zn1Pd1]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ca  1.0000  1.8000  1.1400
  Ho  1.2300  1.7500  1.0410
  Zn  1.6500  1.3500  0.8800
  Pd  2.2000  1.4000  0.8462
]
_symmetry_space_group_name_H-M [P4mm]
_cell_length_a [3.5811]
_cell_length_b [3.5811]
_cell_length_c [7.1902]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [99]
_chemical_formula_structural [CaHoZnPd]
_chemical_formula_sum '[Ca1 Ho1 Zn1 Pd1]'
_cell_volume [92.2093]
_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
[
  Ca  Ca0  1  0.0000  0.0000  0.3609  1.0
  Ho  Ho1  1  0.0000  0.0000  0.8445  1.0
  Zn  Zn2  1  0.5000  0.5000  0.0805  1.0
  Pd  Pd3  1  0.5000  0.5000  0.6420  1.0
]