data_[Sr4C4F4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Sr  0.9500  2.0000  1.3200
  C  2.5500  0.7000  0.3000
  F  3.9800  0.5000  0.7050
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [7.2488]
_cell_length_b [4.1337]
_cell_length_c [7.3005]
_cell_angle_alpha [90.0000]
_cell_angle_beta [95.4027]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [SrCF]
_chemical_formula_sum '[Sr4 C4 F4]'
_cell_volume [217.7850]
_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  4  0.1479  0.0000  0.2662  1.0
  C  C1  4  0.0464  0.5000  0.9313  1.0
  F  F2  4  0.1776  0.0000  0.6138  1.0
]