data_[Ca2La6Os2]
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 [P2_1]
_cell_length_a [6.3215]
_cell_length_b [7.3221]
_cell_length_c [7.5511]
_cell_angle_alpha [90.0000]
_cell_angle_beta [97.1348]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [4]
_chemical_formula_structural [CaLa3Os]
_chemical_formula_sum '[Ca2 La6 Os2]'
_cell_volume [346.8124]
_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  0.0245  0.6553  0.0983  1.0
  La  La1  2  0.0784  0.1058  0.4139  1.0
  La  La2  2  0.4514  0.4043  0.7387  1.0
  La  La3  2  0.4785  0.8996  0.7447  1.0
  Os  Os4  2  0.3089  0.6850  0.4543  1.0
]