data_[Sr6La6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Sr  0.9500  2.0000  1.3200
  La  1.1000  1.9500  1.1720
]
_symmetry_space_group_name_H-M [Cm]
_cell_length_a [14.9445]
_cell_length_b [3.9162]
_cell_length_c [9.3263]
_cell_angle_alpha [90.0000]
_cell_angle_beta [104.6231]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [8]
_chemical_formula_structural [SrLa]
_chemical_formula_sum '[Sr6 La6]'
_cell_volume [528.1438]
_cell_formula_units_Z [6]
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
[
  Sr  Sr0  2  0.0520  0.0000  0.6117  1
  Sr  Sr1  2  0.1728  0.5000  0.3325  1
  Sr  Sr2  2  0.2189  0.5000  0.9442  1
  La  La3  2  0.3443  0.0000  0.6736  1
  La  La4  2  0.3970  0.0000  0.2678  1
  La  La5  2  0.4818  0.5000  0.0036  1
]