data_[Ca2Tm4Os2O16]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ca  1.0000  1.8000  1.1400
  Tm  1.2500  1.7500  1.0950
  Os  2.2000  1.3000  0.6730
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [Cmmm]
_cell_length_a [7.0340]
_cell_length_b [7.0635]
_cell_length_c [6.7989]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [65]
_chemical_formula_structural [CaTm2OsO8]
_chemical_formula_sum '[Ca2 Tm4 Os2 O16]'
_cell_volume [337.7979]
_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
  Tm  Tm1  4  0.0000  0.5000  0.2586  1.0
  Os  Os2  2  0.0000  0.0000  0.0000  1.0
  O  O3  8  0.0000  0.1852  0.1961  1.0
  O  O4  4  0.1874  0.5000  0.5000  1.0
  O  O5  4  0.2297  0.5000  0.0000  1.0
]