data_[Zn6In3Os3]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Zn  1.6500  1.3500  0.8800
  In  1.7800  1.5500  0.9400
  Os  2.2000  1.3000  0.6730
]
_symmetry_space_group_name_H-M [R3m]
_cell_length_a [2.9653]
_cell_length_b [2.9653]
_cell_length_c [26.1722]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [160]
_chemical_formula_structural [Zn2InOs]
_chemical_formula_sum '[Zn6 In3 Os3]'
_cell_volume [199.2986]
_cell_formula_units_Z [3]
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
[
  Zn  Zn0  3  0.0000  0.0000  0.7444  1
  Zn  Zn1  3  0.0000  0.0000  0.9994  1
  In  In2  3  0.0000  0.0000  0.5011  1
  Os  Os3  3  0.0000  0.0000  0.2551  1
]