data_[Ca2Os2Rh4]
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
  Rh  2.2800  1.3500  0.7450
]
_symmetry_space_group_name_H-M [Cm]
_cell_length_a [10.1447]
_cell_length_b [2.8002]
_cell_length_c [4.8072]
_cell_angle_alpha [90.0000]
_cell_angle_beta [108.1055]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [8]
_chemical_formula_structural [CaOsRh2]
_chemical_formula_sum '[Ca2 Os2 Rh4]'
_cell_volume [129.7965]
_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  0.0078  0.5000  0.5574  1
  Os  Os1  2  0.2275  0.5000  0.1717  1
  Rh  Rh2  2  0.2692  0.0000  0.7069  1
  Rh  Rh3  2  0.4955  0.5000  0.0640  1
]