data_[Cr1Ag1As1F6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Cr  1.6600  1.4000  0.9400
  Ag  1.9300  1.6000  1.0867
  As  2.1800  1.1500  0.6600
  F  3.9800  0.5000  0.7050
]
_symmetry_space_group_name_H-M [P1]
_cell_length_a [4.7170]
_cell_length_b [5.7398]
_cell_length_c [5.7973]
_cell_angle_alpha [63.8305]
_cell_angle_beta [88.2681]
_cell_angle_gamma [89.2872]
_symmetry_Int_Tables_number [1]
_chemical_formula_structural [CrAgAsF6]
_chemical_formula_sum '[Cr1 Ag1 As1 F6]'
_cell_volume [140.8051]
_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
[
  Cr  Cr0  1  0.4924  0.3102  0.3419  1
  Ag  Ag1  1  0.0259  0.9749  0.0083  1
  As  As2  1  0.5277  0.6483  0.6832  1
  F  F3  1  0.2536  0.4462  0.9109  1
  F  F4  1  0.2690  0.0213  0.6291  1
  F  F5  1  0.3043  0.6044  0.4145  1
  F  F6  1  0.7037  0.5973  0.0384  1
  F  F7  1  0.7040  0.0391  0.2836  1
  F  F8  1  0.7196  0.3582  0.6904  1
]