data_[Sr6La2C4N8F10]
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
  C  2.5500  0.7000  0.3000
  N  3.0400  0.6500  0.6300
  F  3.9800  0.5000  0.7050
]
_symmetry_space_group_name_H-M [Cm]
_cell_length_a [6.6339]
_cell_length_b [11.6660]
_cell_length_c [6.6132]
_cell_angle_alpha [90.0000]
_cell_angle_beta [119.9232]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [8]
_chemical_formula_structural [Sr3LaC2N4F5]
_chemical_formula_sum '[Sr6 La2 C4 N8 F10]'
_cell_volume [443.5747]
_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  0.2590  0.6569  0.9969  1.0
  Sr  Sr1  2  0.4292  0.0000  0.3307  1.0
  La  La2  2  0.0954  0.0000  0.6623  1.0
  C  C3  4  0.2391  0.2491  0.5055  1.0
  N  N4  4  0.1669  0.1592  0.3923  1.0
  N  N5  4  0.3095  0.3385  0.6212  1.0
  F  F6  4  0.3669  0.8597  0.9913  1.0
  F  F7  2  0.0033  0.5000  0.7411  1.0
  F  F8  2  0.0187  0.0000  0.9910  1.0
  F  F9  2  0.2707  0.5000  0.2605  1.0
]