data_[Na1Ca1Ag2Br6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Na  0.9300  1.8000  1.1600
  Ca  1.0000  1.8000  1.1400
  Ag  1.9300  1.6000  1.0867
  Br  2.9600  1.1500  0.8825
]
_symmetry_space_group_name_H-M [P-1]
_cell_length_a [7.0174]
_cell_length_b [7.0981]
_cell_length_c [8.0277]
_cell_angle_alpha [68.4148]
_cell_angle_beta [64.3469]
_cell_angle_gamma [64.0477]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [NaCa(AgBr3)2]
_chemical_formula_sum '[Na1 Ca1 Ag2 Br6]'
_cell_volume [316.1507]
_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
[
  Na  Na0  1  0.5000  0.5000  0.0000  1.0
  Ca  Ca1  1  0.0000  0.0000  0.5000  1.0
  Ag  Ag2  2  0.3222  0.3164  0.5200  1.0
  Br  Br3  2  0.0673  0.7506  0.2533  1.0
  Br  Br4  2  0.2757  0.6013  0.7043  1.0
  Br  Br5  2  0.4054  0.1018  0.2616  1.0
]