data_[Ca4Pr2Ag4]
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 [P2_1/m]
_cell_length_a [5.9157]
_cell_length_b [4.8383]
_cell_length_c [11.0485]
_cell_angle_alpha [90.0000]
_cell_angle_beta [97.5030]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [Ca2PrAg2]
_chemical_formula_sum '[Ca4 Pr2 Ag4]'
_cell_volume [313.5158]
_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
[
  Ca  Ca0  2  0.1090  0.7500  0.8780  1.0
  Ca  Ca1  2  0.2447  0.7500  0.5414  1.0
  Pr  Pr2  2  0.4062  0.7500  0.2129  1.0
  Ag  Ag3  2  0.2361  0.2500  0.3597  1.0
  Ag  Ag4  2  0.3725  0.2500  0.0277  1.0
]