data_Li2CoSe
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.33
_cell_length_b   4.33
_cell_length_c   4.33
_cell_angle_alpha   127.86
_cell_angle_beta   127.86
_cell_angle_gamma   76.86
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Li2CoSe
_chemical_formula_sum   'Li2 Co1 Se1'
_cell_volume   49.11
_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  0.9  0.7  1.0
  Li  Li2  1  0.0  0.0  0.0  1.0
  Co  Co0  1  0.0  0.0  0.39  1.0
  Se  Se3  1  0.9  0.0  0.7  1.0

data_Li2CoSe
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.81
_cell_length_b   3.81
_cell_length_c   4.33
_cell_angle_alpha   116.07
_cell_angle_beta   116.07
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Li2CoSe
_chemical_formula_sum   'Li2 Co1 Se1'
_cell_volume   49.11
_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  0.0  0.0  1.0
  Li  Li1  1  0.79  0.7  0.79  1.0
  Co  Co2  1  0.39  0.39  0.39  1.0
  Se  Se3  1  0.7  0.79  0.79  1.0

Li Li Co Se