data_[Cr6Ge1N1]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Cr  1.6600  1.4000  0.9400
  Ge  2.0100  1.2500  0.7700
  N  3.0400  0.6500  0.6300
]
_symmetry_space_group_name_H-M [P-1]
_cell_length_a [4.8078]
_cell_length_b [4.9686]
_cell_length_c [4.9846]
_cell_angle_alpha [69.4003]
_cell_angle_beta [62.9447]
_cell_angle_gamma [86.8397]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [Cr6GeN]
_chemical_formula_sum '[Cr6 Ge1 N1]'
_cell_volume [98.4728]
_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
[
  Cr  Cr0  2  0.2524  0.3868  0.6995  1
  Cr  Cr1  2  0.2524  0.9180  0.2302  1
  Cr  Cr2  2  0.2825  0.8479  0.6966  1
  Ge  Ge3  1  0.5000  0.5000  0.0000  1
  N  N4  1  0.0000  0.0000  0.0000  1
]