data_[Er3Sc3Sb1Te1Os1]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Er  1.2400  1.7500  1.0300
  Sc  1.3600  1.6000  0.8850
  Sb  2.0500  1.4500  0.8300
  Te  2.1000  1.4000  1.2933
  Os  2.2000  1.3000  0.6730
]
_symmetry_space_group_name_H-M [P-6]
_cell_length_a [7.8471]
_cell_length_b [7.8471]
_cell_length_c [4.0692]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [174]
_chemical_formula_structural [Er3Sc3SbTeOs]
_chemical_formula_sum '[Er3 Sc3 Sb1 Te1 Os1]'
_cell_volume [216.9975]
_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
[
  Er  Er0  3  0.0032  0.6144  0.0000  1
  Sc  Sc1  3  0.0012  0.2320  0.5000  1
  Sb  Sb2  1  0.3333  0.6667  0.5000  1
  Te  Te3  1  0.6667  0.3333  0.5000  1
  Os  Os4  1  0.0000  0.0000  0.0000  1
]