data_[Ca4Pr4Os4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ca  1.0000  1.8000  1.1400
  Pr  1.1300  1.8500  1.0600
  Os  2.2000  1.3000  0.6730
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [15.6297]
_cell_length_b [4.1600]
_cell_length_c [5.8587]
_cell_angle_alpha [90.0000]
_cell_angle_beta [102.0225]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [CaPrOs]
_chemical_formula_sum '[Ca4 Pr4 Os4]'
_cell_volume [372.5743]
_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
[
  Ca  Ca0  4  0.0832  0.5000  0.7981  1.0
  Pr  Pr1  4  0.1596  0.0000  0.3563  1.0
  Os  Os2  4  0.2472  0.0000  0.8927  1.0
]