data_[Er12Ni2Os4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Er  1.2400  1.7500  1.0300
  Ni  1.9100  1.3500  0.7400
  Os  2.2000  1.3000  0.6730
]
_symmetry_space_group_name_H-M [P2_1/c]
_cell_length_a [6.4501]
_cell_length_b [7.4109]
_cell_length_c [11.0511]
_cell_angle_alpha [90.0000]
_cell_angle_beta [123.8088]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [14]
_chemical_formula_structural [Er6NiOs2]
_chemical_formula_sum '[Er12 Ni2 Os4]'
_cell_volume [438.9258]
_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  4  0.0874  0.5455  0.7409  1.0
  Er  Er1  4  0.2212  0.1725  0.5661  1.0
  Er  Er2  4  0.4010  0.6739  0.5661  1.0
  Ni  Ni3  2  0.5000  0.0000  0.5000  1.0
  Os  Os4  4  0.2978  0.6209  0.2580  1.0
]