data_[Sr2La1F7]
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 [P3m1]
_cell_length_a [4.1367]
_cell_length_b [4.1367]
_cell_length_c [10.3183]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [156]
_chemical_formula_structural [Sr2LaF7]
_chemical_formula_sum '[Sr2 La1 F7]'
_cell_volume [152.9146]
_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
[
  Sr  Sr0  1  0.0000  0.0000  0.6794  1.0
  Sr  Sr1  1  0.6667  0.3333  0.3479  1.0
  La  La2  1  0.3333  0.6667  0.9994  1.0
  F  F3  1  0.0000  0.0000  0.4280  1.0
  F  F4  1  0.0000  0.0000  0.9823  1.0
  F  F5  1  0.3333  0.6667  0.2495  1.0
  F  F6  1  0.3333  0.6667  0.7569  1.0
  F  F7  1  0.6667  0.3333  0.1128  1.0
  F  F8  1  0.6667  0.3333  0.5875  1.0
  F  F9  1  0.6667  0.3333  0.8730  1.0
]