data_[Ca1In1Ag2F8]
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
  F  3.9800  0.5000  0.7050
]
_symmetry_space_group_name_H-M [P-1]
_cell_length_a [4.0223]
_cell_length_b [5.6115]
_cell_length_c [7.5267]
_cell_angle_alpha [86.5174]
_cell_angle_beta [89.9415]
_cell_angle_gamma [88.8663]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [CaInAg2F8]
_chemical_formula_sum '[Ca1 In1 Ag2 F8]'
_cell_volume [169.5412]
_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  0.5000  1.0
  In  In1  1  0.0000  0.0000  0.0000  1.0
  Ag  Ag2  2  0.4952  0.5020  0.2498  1.0
  F  F3  2  0.0210  0.2310  0.2178  1.0
  F  F4  2  0.0228  0.2241  0.7567  1.0
  F  F5  2  0.4764  0.7775  0.0150  1.0
  F  F6  2  0.4923  0.7559  0.5141  1.0
]