data_[Sr8La4F28]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Sr  0.9500  2.0000  1.3200
  La  1.1000  1.9500  1.1720
  F  3.9800  0.5000  0.7050
]
_symmetry_space_group_name_H-M [Cm]
_cell_length_a [7.1157]
_cell_length_b [4.1246]
_cell_length_c [21.4994]
_cell_angle_alpha [90.0000]
_cell_angle_beta [95.8167]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [8]
_chemical_formula_structural [Sr2LaF7]
_chemical_formula_sum '[Sr8 La4 F28]'
_cell_volume [627.7565]
_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
[
  Sr  Sr0  2  0.0133  0.0000  0.5015  1
  Sr  Sr1  2  0.1610  0.0000  0.9851  1
  Sr  Sr2  2  0.2293  0.5000  0.6612  1
  Sr  Sr3  2  0.4446  0.0000  0.8200  1
  La  La4  2  0.0451  0.5000  0.1504  1
  La  La5  2  0.2928  0.0000  0.3314  1
  F  F6  2  0.0092  0.5000  0.0334  1
  F  F7  2  0.0515  0.0000  0.6240  1
  F  F8  2  0.1243  0.0000  0.8633  1
  F  F9  2  0.1276  0.5000  0.3314  1
  F  F10  2  0.1929  0.5000  0.5442  1
  F  F11  2  0.1961  0.0000  0.0980  1
  F  F12  2  0.2567  0.0000  0.2142  1
  F  F13  2  0.2664  0.5000  0.7816  1
  F  F14  2  0.3161  0.5000  0.9489  1
  F  F15  2  0.3338  0.0000  0.4592  1
  F  F16  2  0.3787  0.5000  0.1423  1
  F  F17  2  0.4090  0.0000  0.7044  1
  F  F18  2  0.4475  0.5000  0.2745  1
  F  F19  2  0.4787  0.5000  0.3901  1
]