data_LiReAs2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.15
_cell_length_b   4.05
_cell_length_c   4.97
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LiReAs2
_chemical_formula_sum   'Li1 Re1 As2'
_cell_volume   63.23
_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  Li2  1  0.0  0.0  0.3  1.0
  Re  Re3  1  0.57  0.02  0.91  1.0
  As  As0  1  0.0  0.0  0.72  1.0
  As  As1  1  0.57  0.02  0.49  1.0

data_LiReAs2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.15
_cell_length_b   4.05
_cell_length_c   4.97
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LiReAs2
_chemical_formula_sum   'Li1 Re1 As2'
_cell_volume   63.23
_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  0.3  1.0
  Re  Re1  1  0.57  0.02  0.91  1.0
  As  As2  1  0.0  0.0  0.72  1.0
  As  As3  1  0.57  0.02  0.49  1.0

Li Re As As