data_[K2Cr1Os1]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  K  0.8200  2.2000  1.5200
  Cr  1.6600  1.4000  0.9400
  Os  2.2000  1.3000  0.6730
]
_symmetry_space_group_name_H-M [Pm]
_cell_length_a [2.9793]
_cell_length_b [3.8028]
_cell_length_c [10.2374]
_cell_angle_alpha [90.0000]
_cell_angle_beta [94.5083]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [6]
_chemical_formula_structural [K2CrOs]
_chemical_formula_sum '[K2 Cr1 Os1]'
_cell_volume [115.6263]
_cell_formula_units_Z [1]
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
[
  K  K0  1  0.0404  0.5000  0.3345  1
  K  K1  1  0.7094  0.0000  0.9179  1
  Cr  Cr2  1  0.1339  0.5000  0.6540  1
  Os  Os3  1  0.6162  0.0000  0.5937  1
]