data_[Sr1Co2Ni1F8]
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
  Ni  1.9100  1.3500  0.7400
  F  3.9800  0.5000  0.7050
]
_symmetry_space_group_name_H-M [P2/m]
_cell_length_a [4.9141]
_cell_length_b [6.7270]
_cell_length_c [4.9582]
_cell_angle_alpha [90.0000]
_cell_angle_beta [91.8793]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [10]
_chemical_formula_structural [SrCo2NiF8]
_chemical_formula_sum '[Sr1 Co2 Ni1 F8]'
_cell_volume [163.8131]
_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  0.5000  0.0000  1.0
  Co  Co1  2  0.5000  0.2354  0.5000  1.0
  Ni  Ni2  1  0.0000  0.0000  0.0000  1.0
  F  F3  4  0.1997  0.2155  0.2147  1.0
  F  F4  2  0.3053  0.0000  0.7049  1.0
  F  F5  2  0.3454  0.5000  0.6819  1.0
]