data_[Ca2Hf2Bi2Os2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ca  1.0000  1.8000  1.1400
  Hf  1.3000  1.5500  0.8500
  Bi  2.0200  1.6000  1.0350
  Os  2.2000  1.3000  0.6730
]
_symmetry_space_group_name_H-M [Cm]
_cell_length_a [9.1352]
_cell_length_b [3.4003]
_cell_length_c [7.1879]
_cell_angle_alpha [90.0000]
_cell_angle_beta [109.4241]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [8]
_chemical_formula_structural [CaHfBiOs]
_chemical_formula_sum '[Ca2 Hf2 Bi2 Os2]'
_cell_volume [210.5671]
_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
[
  Ca  Ca0  2  0.3966  0.0000  0.7550  1
  Hf  Hf1  2  0.4924  0.5000  0.3389  1
  Bi  Bi2  2  0.2027  0.0000  0.0741  1
  Os  Os3  2  0.2231  0.5000  0.4099  1
]