data_[Sr4Ca2Os2O12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Sr  0.9500  2.0000  1.3200
  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 [P2_1/c]
_cell_length_a [5.7975]
_cell_length_b [5.9250]
_cell_length_c [10.0594]
_cell_angle_alpha [90.0000]
_cell_angle_beta [124.8840]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [14]
_chemical_formula_structural [Sr2CaOsO6]
_chemical_formula_sum '[Sr4 Ca2 Os2 O12]'
_cell_volume [283.4483]
_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  4  0.2405  0.0448  0.2508  1.0
  Ca  Ca1  2  0.5000  0.0000  0.0000  1.0
  Os  Os2  2  0.0000  0.0000  0.5000  1.0
  O  O3  4  0.1381  0.2315  0.9536  1.0
  O  O4  4  0.2293  0.6892  0.9598  1.0
  O  O5  4  0.3086  0.0254  0.7279  1.0
]