data_[Ca2In14Ag10]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ca  1.0000  1.8000  1.1400
  In  1.7800  1.5500  0.9400
  Ag  1.9300  1.6000  1.0867
]
_symmetry_space_group_name_H-M [Imm2]
_cell_length_a [5.9076]
_cell_length_b [9.9778]
_cell_length_c [9.9936]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [44]
_chemical_formula_structural [CaIn7Ag5]
_chemical_formula_sum '[Ca2 In14 Ag10]'
_cell_volume [589.0696]
_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  0.0000  0.0000  0.0010  1.0
  In  In1  4  0.0000  0.3025  0.5082  1.0
  In  In2  4  0.0000  0.3447  0.9928  1.0
  In  In3  2  0.0000  0.0000  0.3430  1.0
  In  In4  2  0.0000  0.0000  0.6486  1.0
  In  In5  2  0.0000  0.5000  0.2722  1.0
  Ag  Ag6  8  0.2489  0.2491  0.2522  1.0
  Ag  Ag7  2  0.0000  0.5000  0.7244  1.0
]