data_LiReP2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.58
_cell_length_b   4.58
_cell_length_c   4.42
_cell_angle_alpha   105.96
_cell_angle_beta   105.96
_cell_angle_gamma   39.51
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LiReP2
_chemical_formula_sum   'Li1 Re1 P2'
_cell_volume   56.44
_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  0.41  0.0  0.93  1.0
  Re  Re3  1  0.82  0.0  0.73  1.0
  P  P1  1  0.12  0.0  0.51  1.0
  P  P2  1  0.36  0.0  0.41  1.0

data_LiReP2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.1
_cell_length_b   4.42
_cell_length_c   4.58
_cell_angle_alpha   105.96
_cell_angle_beta   109.76
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LiReP2
_chemical_formula_sum   'Li1 Re1 P2'
_cell_volume   56.44
_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  0.93  0.41  1.0
  Re  Re1  1  0.0  0.73  0.82  1.0
  P  P2  1  0.0  0.41  0.36  1.0
  P  P3  1  0.0  0.51  0.12  1.0

Li Re P P