data_[Li4Ca4Os2O12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Li  0.9800  1.4500  0.9000
  Ca  1.0000  1.8000  1.1400
  Os  2.2000  1.3000  0.6730
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [5.7752]
_cell_length_b [9.8811]
_cell_length_c [5.2453]
_cell_angle_alpha [90.0000]
_cell_angle_beta [104.5574]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Li2Ca2OsO6]
_chemical_formula_sum '[Li4 Ca4 Os2 O12]'
_cell_volume [289.7100]
_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
[
  Li  Li0  4  0.0000  0.1227  0.0000  1
  Ca  Ca1  4  0.0000  0.3377  0.5000  1
  Os  Os2  2  0.0000  0.0000  0.5000  1
  O  O3  8  0.1829  0.1434  0.7152  1
  O  O4  4  0.2261  0.0000  0.2701  1
]