data_[Na8Sr12As16]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Na  0.9300  1.8000  1.1600
  Sr  0.9500  2.0000  1.3200
  As  2.1800  1.1500  0.6600
]
_symmetry_space_group_name_H-M [P2_1/c]
_cell_length_a [9.6439]
_cell_length_b [9.3386]
_cell_length_c [13.8400]
_cell_angle_alpha [90.0000]
_cell_angle_beta [123.1005]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [14]
_chemical_formula_structural [Na2Sr3As4]
_chemical_formula_sum '[Na8 Sr12 As16]'
_cell_volume [1044.1574]
_cell_formula_units_Z [4]
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  4  0.1548  0.2086  0.3596  1
  Na  Na1  4  0.2478  0.5678  0.2842  1
  Sr  Sr2  4  0.1023  0.6753  0.9296  1
  Sr  Sr3  4  0.2687  0.0546  0.0589  1
  Sr  Sr4  4  0.4253  0.5305  0.8530  1
  As  As5  4  0.0380  0.5202  0.6908  1
  As  As6  4  0.2319  0.1115  0.6024  1
  As  As7  4  0.4802  0.7214  0.5273  1
  As  As8  4  0.4883  0.2249  0.7810  1
]