data_Li2YCr
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.89
_cell_length_b   2.89
_cell_length_c   8.86
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Li2YCr
_chemical_formula_sum   'Li2 Y1 Cr1'
_cell_volume   73.77
_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  0.44  0.44  0.85  1.0
  Li  Li2  1  0.44  0.44  0.01  1.0
  Y  Y3  1  0.0  0.0  0.43  1.0
  Cr  Cr0  1  0.0  0.0  0.0  1.0

data_Li2YCr
_symmetry_space_group_name_H-M   Cm
_cell_length_a   4.08
_cell_length_b   4.08
_cell_length_c   8.86
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   Li2YCr
_chemical_formula_sum   'Li4 Y2 Cr2'
_cell_volume   147.53
_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
  Li  Li0  2  0.44  0.0  0.01  1.0
  Li  Li1  2  0.44  0.0  0.85  1.0
  Y  Y2  2  0.0  0.0  0.43  1.0
  Cr  Cr3  2  0.0  0.0  0.0  1.0

Li Li Y Cr
Li Li Y Cr 0 1 o o + 0 3 o o + 1 3 + + o 1 3 + o o 1 3 o + o 1 3 o o o 2 2 + o o 2 2 o + o 