data_BaLiCr
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.11
_cell_length_b   7.11
_cell_length_c   7.11
_cell_angle_alpha   153.48
_cell_angle_beta   153.48
_cell_angle_gamma   37.86
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BaLiCr
_chemical_formula_sum   'Ba1 Li1 Cr1'
_cell_volume   71.64
_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
  Ba  Ba0  1  0.0  0.0  0.28  1.0
  Li  Li2  1  0.0  0.0  0.46  1.0
  Cr  Cr1  1  0.0  0.0  0.17  1.0

data_BaLiCr
_symmetry_space_group_name_H-M   Cm
_cell_length_a   4.61
_cell_length_b   4.61
_cell_length_c   7.11
_cell_angle_alpha   90.0
_cell_angle_beta   108.93
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   BaLiCr
_chemical_formula_sum   'Ba2 Li2 Cr2'
_cell_volume   143.28
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  'x, -y, z'
  3  'x+1/2, y+1/2, z'
  4  'x+1/2, -y+1/2, 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
  Ba  Ba0  2  0.0  0.0  0.72  1.0
  Li  Li1  2  0.0  0.0  0.54  1.0
  Cr  Cr2  2  0.0  0.0  0.83  1.0

Ba Li Cr
Ba Li Cr 0 2 o o o 0 1 o o o 