data_LiNb2Cr
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.03
_cell_length_b   5.03
_cell_length_c   5.03
_cell_angle_alpha   135.68
_cell_angle_beta   135.68
_cell_angle_gamma   64.48
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LiNb2Cr
_chemical_formula_sum   'Li1 Nb2 Cr1'
_cell_volume   61.11
_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
  Li  Li1  1  0.0  0.0  0.0  1.0
  Nb  Nb2  1  0.9  0.0  0.13  1.0
  Nb  Nb3  1  0.0  0.0  0.25  1.0
  Cr  Cr0  1  0.0  0.9  0.13  1.0

data_LiNb2Cr
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.79
_cell_length_b   3.79
_cell_length_c   5.03
_cell_angle_alpha   112.16
_cell_angle_beta   112.16
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LiNb2Cr
_chemical_formula_sum   'Li1 Nb2 Cr1'
_cell_volume   61.11
_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
  Li  Li0  1  0.0  0.0  0.0  1.0
  Nb  Nb1  1  0.75  0.0  0.75  1.0
  Nb  Nb2  1  0.87  0.0  0.77  1.0
  Cr  Cr3  1  0.77  0.9  0.77  1.0

Li Nb Nb Cr