data_[Sr2Co2F2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Sr  0.9500  2.0000  1.3200
  Co  1.8800  1.3500  0.7683
  F  3.9800  0.5000  0.7050
]
_symmetry_space_group_name_H-M [P3m1]
_cell_length_a [4.1272]
_cell_length_b [4.1272]
_cell_length_c [8.8725]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [156]
_chemical_formula_structural [SrCoF]
_chemical_formula_sum '[Sr2 Co2 F2]'
_cell_volume [130.8840]
_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  1  0.3333  0.6667  0.1018  1
  Sr  Sr1  1  0.6667  0.3333  0.6847  1
  Co  Co2  1  0.0000  0.0000  0.4188  1
  Co  Co3  1  0.3333  0.6667  0.4684  1
  F  F4  1  0.0000  0.0000  0.1435  1
  F  F5  1  0.6667  0.3333  0.9575  1
]