data_[Zr2Sc2Os2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Zr  1.3300  1.5500  0.8600
  Sc  1.3600  1.6000  0.8850
  Os  2.2000  1.3000  0.6730
]
_symmetry_space_group_name_H-M [P2_1/m]
_cell_length_a [5.2990]
_cell_length_b [4.5146]
_cell_length_c [5.6981]
_cell_angle_alpha [90.0000]
_cell_angle_beta [108.5815]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [ZrScOs]
_chemical_formula_sum '[Zr2 Sc2 Os2]'
_cell_volume [129.2076]
_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  0.4114  0.7500  0.1875  1
  Sc  Sc1  2  0.0019  0.2500  0.3424  1
  Os  Os2  2  0.1413  0.2500  0.9143  1
]