data_[Ca4Nd12Sn8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ca  1.0000  1.8000  1.1400
  Nd  1.1400  1.8500  1.2765
  Sn  1.9600  1.4500  0.8300
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [18.4440]
_cell_length_b [4.7309]
_cell_length_c [9.8504]
_cell_angle_alpha [90.0000]
_cell_angle_beta [114.9872]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [CaNd3Sn2]
_chemical_formula_sum '[Ca4 Nd12 Sn8]'
_cell_volume [779.0702]
_cell_formula_units_Z [4]
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  0.1118  0.0000  0.1220  1
  Nd  Nd1  4  0.0488  0.0000  0.6838  1
  Nd  Nd2  4  0.1498  0.5000  0.4808  1
  Nd  Nd3  4  0.1938  0.5000  0.8886  1
  Sn  Sn4  4  0.0058  0.5000  0.8520  1
  Sn  Sn5  4  0.2424  0.0000  0.7170  1
]