data_[Ca24Mg2Ag10]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ca  1.0000  1.8000  1.1400
  Mg  1.3100  1.5000  0.8600
  Ag  1.9300  1.6000  1.0867
]
_symmetry_space_group_name_H-M [Immm]
_cell_length_a [10.0154]
_cell_length_b [10.1479]
_cell_length_c [11.3838]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [71]
_chemical_formula_structural [Ca12MgAg5]
_chemical_formula_sum '[Ca24 Mg2 Ag10]'
_cell_volume [1156.9950]
_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  8  0.0000  0.1924  0.2377  1
  Ca  Ca1  8  0.1968  0.5000  0.1693  1
  Ca  Ca2  8  0.2181  0.3179  0.5000  1
  Mg  Mg3  2  0.0000  0.0000  0.5000  1
  Ag  Ag4  4  0.0000  0.3430  0.0000  1
  Ag  Ag5  4  0.0000  0.5000  0.3739  1
  Ag  Ag6  2  0.0000  0.0000  0.0000  1
]