data_[Zr1Al2Sn1Os1]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Zr  1.3300  1.5500  0.8600
  Al  1.6100  1.2500  0.6750
  Sn  1.9600  1.4500  0.8300
  Os  2.2000  1.3000  0.6730
]
_symmetry_space_group_name_H-M [P4/mmm]
_cell_length_a [4.9482]
_cell_length_b [4.9482]
_cell_length_c [4.8464]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [123]
_chemical_formula_structural [ZrAl2SnOs]
_chemical_formula_sum '[Zr1 Al2 Sn1 Os1]'
_cell_volume [118.6649]
_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
[
  Zr  Zr0  1  0.5000  0.5000  0.5000  1
  Al  Al1  2  0.0000  0.5000  0.0000  1
  Sn  Sn2  1  0.0000  0.0000  0.0000  1
  Os  Os3  1  0.0000  0.0000  0.5000  1
]