data_[Sr3Cr3Os6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Sr  0.9500  2.0000  1.3200
  Cr  1.6600  1.4000  0.9400
  Os  2.2000  1.3000  0.6730
]
_symmetry_space_group_name_H-M [R3m]
_cell_length_a [2.8225]
_cell_length_b [2.8225]
_cell_length_c [29.3220]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [160]
_chemical_formula_structural [SrCrOs2]
_chemical_formula_sum '[Sr3 Cr3 Os6]'
_cell_volume [202.2968]
_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  0.5001  1
  Cr  Cr1  3  0.0000  0.0000  0.2636  1
  Os  Os2  3  0.0000  0.0000  0.7382  1
  Os  Os3  3  0.0000  0.0000  0.9982  1
]