data_[Er16In2Os4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Er  1.2400  1.7500  1.0300
  In  1.7800  1.5500  0.9400
  Os  2.2000  1.3000  0.6730
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [8.7621]
_cell_length_b [13.0320]
_cell_length_c [5.4254]
_cell_angle_alpha [90.0000]
_cell_angle_beta [103.6489]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Er8InOs2]
_chemical_formula_sum '[Er16 In2 Os4]'
_cell_volume [602.0230]
_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
[
  Er  Er0  8  0.1965  0.1344  0.0792  1.0
  Er  Er1  4  0.0000  0.2480  0.5000  1.0
  Er  Er2  4  0.1159  0.5000  0.2985  1.0
  In  In3  2  0.0000  0.0000  0.5000  1.0
  Os  Os4  4  0.0000  0.3158  0.0000  1.0
]