data_[Nd1Cr2Ge1O6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Nd  1.1400  1.8500  1.2765
  Cr  1.6600  1.4000  0.9400
  Ge  2.0100  1.2500  0.7700
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [P1]
_cell_length_a [5.2503]
_cell_length_b [5.3199]
_cell_length_c [5.6486]
_cell_angle_alpha [115.4425]
_cell_angle_beta [90.0664]
_cell_angle_gamma [119.2668]
_symmetry_Int_Tables_number [1]
_chemical_formula_structural [NdCr2GeO6]
_chemical_formula_sum '[Nd1 Cr2 Ge1 O6]'
_cell_volume [119.7333]
_cell_formula_units_Z [1]
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
[
  Nd  Nd0  1  0.2140  0.4236  0.6138  1
  Cr  Cr1  1  0.4877  0.9534  0.4287  1
  Cr  Cr2  1  0.9896  0.9813  0.9762  1
  Ge  Ge3  1  0.6774  0.3582  0.0351  1
  O  O4  1  0.0294  0.4296  0.2164  1
  O  O5  1  0.2880  0.1231  0.7624  1
  O  O6  1  0.3992  0.1644  0.2226  1
  O  O7  1  0.6478  0.9311  0.7604  1
  O  O8  1  0.7505  0.8032  0.2155  1
  O  O9  1  0.8549  0.5088  0.7840  1
]