data_[Ca4La6Nd4]
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
  Nd  1.1400  1.8500  1.2765
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [11.8317]
_cell_length_b [5.3050]
_cell_length_c [8.5331]
_cell_angle_alpha [90.0000]
_cell_angle_beta [98.3950]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Ca2La3Nd2]
_chemical_formula_sum '[Ca4 La6 Nd4]'
_cell_volume [529.8576]
_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  4  0.1429  0.0000  0.4290  1
  La  La1  4  0.0720  0.5000  0.7353  1
  La  La2  2  0.0000  0.0000  0.0000  1
  Nd  Nd3  4  0.2161  0.5000  0.1311  1
]