data_[Ca2La10]
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
]
_symmetry_space_group_name_H-M [Cm]
_cell_length_a [13.9139]
_cell_length_b [3.7608]
_cell_length_c [8.9567]
_cell_angle_alpha [90.0000]
_cell_angle_beta [104.6755]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [8]
_chemical_formula_structural [CaLa5]
_chemical_formula_sum '[Ca2 La10]'
_cell_volume [453.3829]
_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  0.0014  0.0000  0.9986  1.0
  La  La1  2  0.0542  0.0000  0.6017  1.0
  La  La2  2  0.1718  0.5000  0.3401  1.0
  La  La3  2  0.2280  0.5000  0.9456  1.0
  La  La4  2  0.3267  0.0000  0.6655  1.0
  La  La5  2  0.3845  0.0000  0.2818  1.0
]