data_Li2CrSe
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.55
_cell_length_b   3.89
_cell_length_c   5.22
_cell_angle_alpha   90.0
_cell_angle_beta   101.44
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Li2CrSe
_chemical_formula_sum   'Li2 Cr1 Se1'
_cell_volume   70.73
_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  0.88  0.95  0.42  1.0
  Li  Li2  1  0.64  0.95  0.69  1.0
  Cr  Cr0  1  0.0  0.0  0.0  1.0
  Se  Se3  1  0.48  0.0  0.56  1.0

data_Li2CrSe
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.55
_cell_length_b   3.89
_cell_length_c   5.22
_cell_angle_alpha   90.0
_cell_angle_beta   101.44
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Li2CrSe
_chemical_formula_sum   'Li2 Cr1 Se1'
_cell_volume   70.73
_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  0.64  0.95  0.69  1.0
  Li  Li1  1  0.88  0.95  0.42  1.0
  Cr  Cr2  1  0.0  0.0  0.0  1.0
  Se  Se3  1  0.48  0.0  0.56  1.0

Li Li Cr Se