data_LiCoP2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.4
_cell_length_b   7.4
_cell_length_c   7.4
_cell_angle_alpha   22.69
_cell_angle_beta   22.69
_cell_angle_gamma   22.69
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LiCoP2
_chemical_formula_sum   'Li1 Co1 P2'
_cell_volume   52.89
_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  0.0  0.0  1.0
  Co  Co0  1  0.0  0.0  0.81  1.0
  P  P2  1  0.0  0.0  0.16  1.0
  P  P3  1  0.0  0.0  0.45  1.0

data_LiCoP2
_symmetry_space_group_name_H-M   Cm
_cell_length_a   5.04
_cell_length_b   2.91
_cell_length_c   7.4
_cell_angle_alpha   90.0
_cell_angle_beta   103.13
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   LiCoP2
_chemical_formula_sum   'Li2 Co2 P4'
_cell_volume   105.78
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  'x, -y, z'
  3  'x+1/2, y+1/2, z'
  4  'x+1/2, -y+1/2, 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  2  0.0  0.0  0.0  1.0
  Co  Co1  2  0.0  0.0  0.19  1.0
  P  P2  2  0.0  0.0  0.55  1.0
  P  P3  2  0.0  0.0  0.84  1.0

Li Co P P