data_[Ca4La2Os2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ca  1.0000  1.8000  1.1400
  La  1.1000  1.9500  1.1720
  Os  2.2000  1.3000  0.6730
]
_symmetry_space_group_name_H-M [Cm]
_cell_length_a [11.2487]
_cell_length_b [3.8878]
_cell_length_c [6.7948]
_cell_angle_alpha [90.0000]
_cell_angle_beta [116.5052]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [8]
_chemical_formula_structural [Ca2LaOs]
_chemical_formula_sum '[Ca4 La2 Os2]'
_cell_volume [265.9190]
_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  0.2560  0.5000  0.1920  1
  Ca  Ca1  2  0.4421  0.5000  0.8944  1
  La  La2  2  0.0855  0.5000  0.5649  1
  Os  Os3  2  0.2164  0.0000  0.8487  1
]