data_[Co3Ir12Os1]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Co  1.8800  1.3500  0.7683
  Ir  2.2000  1.3500  0.7650
  Os  2.2000  1.3000  0.6730
]
_symmetry_space_group_name_H-M [P4/mmm]
_cell_length_a [3.8158]
_cell_length_b [3.8158]
_cell_length_c [15.2867]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [123]
_chemical_formula_structural [Co3Ir12Os]
_chemical_formula_sum '[Co3 Ir12 Os1]'
_cell_volume [222.5756]
_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
[
  Co  Co0  2  0.0000  0.0000  0.2561  1
  Co  Co1  1  0.0000  0.0000  0.5000  1
  Ir  Ir2  4  0.0000  0.5000  0.1263  1
  Ir  Ir3  4  0.0000  0.5000  0.3760  1
  Ir  Ir4  2  0.5000  0.5000  0.2511  1
  Os  Os5  1  0.0000  0.0000  0.0000  1
  Ir  Ir6  1  0.5000  0.5000  0.0000  1
  Ir  Ir7  1  0.5000  0.5000  0.5000  1
]