data_[Sr3Zr3Os6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Sr  0.9500  2.0000  1.3200
  Zr  1.3300  1.5500  0.8600
  Os  2.2000  1.3000  0.6730
]
_symmetry_space_group_name_H-M [R3m]
_cell_length_a [2.9619]
_cell_length_b [2.9619]
_cell_length_c [31.3033]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [160]
_chemical_formula_structural [SrZrOs2]
_chemical_formula_sum '[Sr3 Zr3 Os6]'
_cell_volume [237.8263]
_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
[
  Sr  Sr0  3  0.0000  0.0000  0.4910  1
  Zr  Zr1  3  0.0000  0.0000  0.2632  1
  Os  Os2  3  0.0000  0.0000  0.0078  1
  Os  Os3  3  0.0000  0.0000  0.7380  1
]