data_LiCr
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.69
_cell_length_b   2.34
_cell_length_c   2.34
_cell_angle_alpha   69.15
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LiCr
_chemical_formula_sum   'Li1 Cr1'
_cell_volume   24.05
_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  0.75  1.0
  Cr  Cr0  1  0.35  0.0  0.11  1.0

data_LiCr
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.34
_cell_length_b   2.34
_cell_length_c   4.69
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   110.85
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LiCr
_chemical_formula_sum   'Li1 Cr1'
_cell_volume   24.05
_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  0.25  0.0  1.0
  Cr  Cr1  1  0.0  0.89  0.65  1.0

Li Cr
Li Cr 0 0 o + o 0 0 o o + 0 1 o o o 0 1 o o + 1 1 o + o 1 1 o o + 