data_[Sc1Zn1Os2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Sc  1.3600  1.6000  0.8850
  Zn  1.6500  1.3500  0.8800
  Os  2.2000  1.3000  0.6730
]
_symmetry_space_group_name_H-M [Pm]
_cell_length_a [2.8653]
_cell_length_b [4.3647]
_cell_length_c [5.1003]
_cell_angle_alpha [90.0000]
_cell_angle_beta [102.7858]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [6]
_chemical_formula_structural [ScZnOs2]
_chemical_formula_sum '[Sc1 Zn1 Os2]'
_cell_volume [62.2019]
_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
[
  Sc  Sc0  1  0.5268  0.0000  0.5339  1
  Zn  Zn1  1  0.0980  0.5000  0.7343  1
  Os  Os2  1  0.1139  0.0000  0.0301  1
  Os  Os3  1  0.7613  0.5000  0.2017  1
]