data_[Zr4Co4Os4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Zr  1.3300  1.5500  0.8600
  Co  1.8800  1.3500  0.7683
  Os  2.2000  1.3000  0.6730
]
_symmetry_space_group_name_H-M [Ima2]
_cell_length_a [4.1786]
_cell_length_b [7.0656]
_cell_length_c [6.5855]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [46]
_chemical_formula_structural [ZrCoOs]
_chemical_formula_sum '[Zr4 Co4 Os4]'
_cell_volume [194.4313]
_cell_formula_units_Z [4]
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  4  0.2500  0.6896  0.5948  1
  Co  Co1  4  0.2500  0.0843  0.7986  1
  Os  Os2  4  0.2500  0.0949  0.4148  1
]