data_[Sr4Ca8As6F4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Sr  0.9500  2.0000  1.3200
  Ca  1.0000  1.8000  1.1400
  As  2.1800  1.1500  0.6600
  F  3.9800  0.5000  0.7050
]
_symmetry_space_group_name_H-M [I4/mmm]
_cell_length_a [4.7082]
_cell_length_b [4.7082]
_cell_length_c [24.2311]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [139]
_chemical_formula_structural [Sr2Ca4As3F2]
_chemical_formula_sum '[Sr4 Ca8 As6 F4]'
_cell_volume [537.1255]
_cell_formula_units_Z [2]
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
[
  Sr  Sr0  4  0.0000  0.0000  0.2989  1.0
  Ca  Ca1  8  0.0000  0.5000  0.0771  1.0
  As  As2  4  0.0000  0.0000  0.1675  1.0
  As  As3  2  0.0000  0.0000  0.0000  1.0
  F  F4  4  0.0000  0.0000  0.4051  1.0
]