data_LiCrBr2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.14
_cell_length_b   5.53
_cell_length_c   4.26
_cell_angle_alpha   90.0
_cell_angle_beta   98.91
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LiCrBr2
_chemical_formula_sum   'Li1 Cr1 Br2'
_cell_volume   96.3
_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  Li3  1  0.21  0.0  0.88  1.0
  Cr  Cr2  1  0.43  0.77  0.35  1.0
  Br  Br0  1  0.51  0.77  0.51  1.0
  Br  Br1  1  0.21  0.0  0.57  1.0

data_LiCrBr2
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.14
_cell_length_b   4.26
_cell_length_c   5.53
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   98.91
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LiCrBr2
_chemical_formula_sum   'Li1 Cr1 Br2'
_cell_volume   96.3
_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  0.79  0.12  0.0  1.0
  Cr  Cr1  1  0.57  0.65  0.23  1.0
  Br  Br2  1  0.49  0.49  0.23  1.0
  Br  Br3  1  0.79  0.43  0.0  1.0

Li Cr Br Br