data_[Ca2Mg2Co4F16]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ca  1.0000  1.8000  1.1400
  Mg  1.3100  1.5000  0.8600
  Co  1.8800  1.3500  0.7683
  F  3.9800  0.5000  0.7050
]
_symmetry_space_group_name_H-M [Cmmm]
_cell_length_a [6.7833]
_cell_length_b [6.9402]
_cell_length_c [6.5994]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [65]
_chemical_formula_structural [CaMgCo2F8]
_chemical_formula_sum '[Ca2 Mg2 Co4 F16]'
_cell_volume [310.6843]
_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
[
  Ca  Ca0  2  0.0000  0.0000  0.5000  1.0
  Mg  Mg1  2  0.0000  0.0000  0.0000  1.0
  Co  Co2  4  0.0000  0.5000  0.2402  1.0
  F  F3  8  0.2010  0.0000  0.2260  1.0
  F  F4  4  0.0000  0.3003  0.0000  1.0
  F  F5  4  0.0000  0.3203  0.5000  1.0
]