data_[Zr2Ga2Os2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Zr  1.3300  1.5500  0.8600
  Ga  1.8100  1.3000  0.7600
  Os  2.2000  1.3000  0.6730
]
_symmetry_space_group_name_H-M [Pmn2_1]
_cell_length_a [4.4169]
_cell_length_b [3.1420]
_cell_length_c [7.5559]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [31]
_chemical_formula_structural [ZrGaOs]
_chemical_formula_sum '[Zr2 Ga2 Os2]'
_cell_volume [104.8592]
_cell_formula_units_Z [2]
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  2  0.0000  0.9784  0.9089  1
  Ga  Ga1  2  0.0000  0.5156  0.5714  1
  Os  Os2  2  0.0000  0.3999  0.2388  1
]