data_[Ca4Pr1Ag5]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ca  1.0000  1.8000  1.1400
  Pr  1.1300  1.8500  1.0600
  Ag  1.9300  1.6000  1.0867
]
_symmetry_space_group_name_H-M [P4/mmm]
_cell_length_a [3.6615]
_cell_length_b [3.6615]
_cell_length_c [19.3730]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [123]
_chemical_formula_structural [Ca4PrAg5]
_chemical_formula_sum '[Ca4 Pr1 Ag5]'
_cell_volume [259.7200]
_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  2  0.0000  0.0000  0.2017  1.0
  Ca  Ca1  2  0.0000  0.0000  0.4011  1.0
  Pr  Pr2  1  0.0000  0.0000  0.0000  1.0
  Ag  Ag3  2  0.5000  0.5000  0.1006  1.0
  Ag  Ag4  2  0.5000  0.5000  0.3025  1.0
  Ag  Ag5  1  0.5000  0.5000  0.5000  1.0
]