data_[Li2Zr1Os1]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Li  0.9800  1.4500  0.9000
  Zr  1.3300  1.5500  0.8600
  Os  2.2000  1.3000  0.6730
]
_symmetry_space_group_name_H-M [Pmmm]
_cell_length_a [2.6250]
_cell_length_b [4.5572]
_cell_length_c [5.3783]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [47]
_chemical_formula_structural [Li2ZrOs]
_chemical_formula_sum '[Li2 Zr1 Os1]'
_cell_volume [64.3403]
_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
[
  Li  Li0  2  0.0000  0.0000  0.2127  1
  Zr  Zr1  1  0.5000  0.5000  0.5000  1
  Os  Os2  1  0.5000  0.5000  0.0000  1
]