data_LiCoP2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.03
_cell_length_b   5.03
_cell_length_c   4.03
_cell_angle_alpha   92.34
_cell_angle_beta   92.34
_cell_angle_gamma   32.52
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LiCoP2
_chemical_formula_sum   'Li1 Co1 P2'
_cell_volume   54.78
_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  0.11  0.0  0.11  1.0
  Co  Co0  1  0.48  0.0  0.06  1.0
  P  P2  1  0.33  0.0  0.76  1.0
  P  P3  1  0.78  0.0  0.15  1.0

data_LiCoP2
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.82
_cell_length_b   4.03
_cell_length_c   5.03
_cell_angle_alpha   92.34
_cell_angle_beta   106.26
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LiCoP2
_chemical_formula_sum   'Li1 Co1 P2'
_cell_volume   54.78
_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  0.11  0.11  1.0
  Co  Co1  1  0.0  0.06  0.48  1.0
  P  P2  1  0.0  0.15  0.78  1.0
  P  P3  1  0.0  0.76  0.33  1.0

Li Co P P
Li Co P P 0 3 - o o 0 1 o o o 0 2 o o - 1 2 o o - 1 3 o o o 