data_LiRe2P
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.47
_cell_length_b   4.47
_cell_length_c   4.36
_cell_angle_alpha   104.83
_cell_angle_beta   104.83
_cell_angle_gamma   38.48
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LiRe2P
_chemical_formula_sum   'Li1 Re2 P1'
_cell_volume   52.11
_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  0.54  0.0  0.1  1.0
  Re  Re2  1  0.06  0.0  0.12  1.0
  Re  Re3  1  0.25  0.0  0.99  1.0
  P  P1  1  0.04  0.0  0.08  1.0

data_LiRe2P
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.94
_cell_length_b   4.36
_cell_length_c   4.47
_cell_angle_alpha   104.83
_cell_angle_beta   109.24
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LiRe2P
_chemical_formula_sum   'Li1 Re2 P1'
_cell_volume   52.11
_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  0.1  0.54  1.0
  Re  Re1  1  0.0  0.12  0.06  1.0
  Re  Re2  1  0.0  0.99  0.25  1.0
  P  P3  1  0.0  0.08  0.04  1.0

Li Re Re P