data_LaNb2Cr
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.26
_cell_length_b   5.26
_cell_length_c   5.46
_cell_angle_alpha   107.47
_cell_angle_beta   107.47
_cell_angle_gamma   36.33
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LaNb2Cr
_chemical_formula_sum   'La1 Nb2 Cr1'
_cell_volume   84.89
_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
  La  La1  1  0.22  0.0  0.3  1.0
  Nb  Nb2  1  0.2  0.0  0.76  1.0
  Nb  Nb3  1  0.01  0.0  0.74  1.0
  Cr  Cr0  1  0.23  0.0  0.16  1.0

data_LaNb2Cr
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.28
_cell_length_b   5.26
_cell_length_c   5.46
_cell_angle_alpha   107.47
_cell_angle_beta   90.0
_cell_angle_gamma   108.17
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LaNb2Cr
_chemical_formula_sum   'La1 Nb2 Cr1'
_cell_volume   84.89
_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
  La  La0  1  0.0  0.78  0.7  1.0
  Nb  Nb1  1  0.0  0.8  0.24  1.0
  Nb  Nb2  1  0.0  0.99  0.26  1.0
  Cr  Cr3  1  0.0  0.77  0.84  1.0

La Nb Nb Cr