data_[Zr4Mo2Os2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Zr  1.3300  1.5500  0.8600
  Mo  2.1600  1.4500  0.7750
  Os  2.2000  1.3000  0.6730
]
_symmetry_space_group_name_H-M [Imm2]
_cell_length_a [3.2726]
_cell_length_b [4.6242]
_cell_length_c [9.7198]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [44]
_chemical_formula_structural [Zr2MoOs]
_chemical_formula_sum '[Zr4 Mo2 Os2]'
_cell_volume [147.0901]
_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  0.0000  0.0093  1.0
  Zr  Zr1  2  0.0000  0.5000  0.2435  1.0
  Mo  Mo2  2  0.0000  0.0000  0.4877  1.0
  Os  Os3  2  0.0000  0.5000  0.7595  1.0
]