data_[Ca4Nd4Cr4O16]
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
  Cr  1.6600  1.4000  0.9400
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [Cmc2_1]
_cell_length_a [5.4316]
_cell_length_b [11.9147]
_cell_length_c [5.6510]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [36]
_chemical_formula_structural [CaNdCrO4]
_chemical_formula_sum '[Ca4 Nd4 Cr4 O16]'
_cell_volume [365.7033]
_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  0.0000  0.3971  0.9806  1.0
  Nd  Nd1  4  0.0000  0.1118  0.0186  1.0
  Cr  Cr2  4  0.0000  0.2504  0.5022  1.0
  O  O3  8  0.2478  0.2725  0.2486  1.0
  O  O4  4  0.0000  0.0773  0.4352  1.0
  O  O5  4  0.0000  0.4179  0.5662  1.0
]