data_[Ca3In1Ag4]
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 [P4/mmm]
_cell_length_a [5.0903]
_cell_length_b [5.0903]
_cell_length_c [7.3924]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [123]
_chemical_formula_structural [Ca3InAg4]
_chemical_formula_sum '[Ca3 In1 Ag4]'
_cell_volume [191.5497]
_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  0.0000  1
  Ca  Ca1  1  0.5000  0.5000  0.0000  1
  Ca  Ca2  1  0.5000  0.5000  0.5000  1
  In  In3  1  0.0000  0.0000  0.5000  1
  Ag  Ag4  4  0.0000  0.5000  0.2614  1
]