data_[Ca6Os2O12F4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ca  1.0000  1.8000  1.1400
  Os  2.2000  1.3000  0.6730
  O  3.4400  0.6000  1.2600
  F  3.9800  0.5000  0.7050
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [11.3306]
_cell_length_b [6.5575]
_cell_length_c [4.8292]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.4225]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Ca3Os(O3F)2]
_chemical_formula_sum '[Ca6 Os2 O12 F4]'
_cell_volume [358.8021]
_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  4  0.2500  0.2500  0.5000  1.0
  Ca  Ca1  2  0.0000  0.5000  0.0000  1.0
  Os  Os2  2  0.0000  0.0000  0.5000  1.0
  O  O3  8  0.0653  0.2066  0.2774  1.0
  O  O4  4  0.1409  0.0000  0.7090  1.0
  F  F5  4  0.1654  0.5000  0.7459  1.0
]