data_[Ca6Nd2In4]
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
  In  1.7800  1.5500  0.9400
]
_symmetry_space_group_name_H-M [Pmc2_1]
_cell_length_a [5.3511]
_cell_length_b [9.9445]
_cell_length_c [7.2002]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [26]
_chemical_formula_structural [Ca3NdIn2]
_chemical_formula_sum '[Ca6 Nd2 In4]'
_cell_volume [383.1489]
_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  0.0000  0.0508  0.4676  1
  Ca  Ca1  2  0.0000  0.3128  0.8241  1
  Ca  Ca2  2  0.5000  0.1802  0.1775  1
  Nd  Nd3  2  0.5000  0.4538  0.5322  1
  In  In4  2  0.0000  0.3649  0.2818  1
  In  In5  2  0.5000  0.1454  0.7169  1
]