data_[Ca4Nd16Os4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ca  1.0000  1.8000  1.1400
  Nd  1.1400  1.8500  1.2765
  Os  2.2000  1.3000  0.6730
]
_symmetry_space_group_name_H-M [Immm]
_cell_length_a [6.3129]
_cell_length_b [7.7424]
_cell_length_c [16.8030]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [71]
_chemical_formula_structural [CaNd4Os]
_chemical_formula_sum '[Ca4 Nd16 Os4]'
_cell_volume [821.2898]
_cell_formula_units_Z [4]
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  0.0000  0.5000  0.2992  1.0
  Nd  Nd1  8  0.0000  0.2598  0.1065  1.0
  Nd  Nd2  4  0.0000  0.0000  0.3370  1.0
  Nd  Nd3  4  0.0000  0.2934  0.5000  1.0
  Os  Os4  4  0.2432  0.5000  0.0000  1.0
]