data_LiCr2P
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.41
_cell_length_b   4.41
_cell_length_c   4.41
_cell_angle_alpha   133.54
_cell_angle_beta   133.54
_cell_angle_gamma   67.8
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LiCr2P
_chemical_formula_sum   'Li1 Cr2 P1'
_cell_volume   44.4
_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  0.0  1.0
  Cr  Cr0  1  0.0  0.74  0.83  1.0
  Cr  Cr1  1  0.74  0.0  0.83  1.0
  P  P3  1  0.0  0.0  0.66  1.0

data_LiCr2P
_symmetry_space_group_name_H-M   Cm
_cell_length_a   4.92
_cell_length_b   4.92
_cell_length_c   4.41
_cell_angle_alpha   90.0
_cell_angle_beta   123.9
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   LiCr2P
_chemical_formula_sum   'Li2 Cr4 P2'
_cell_volume   88.81
_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
  Cr  Cr1  4  0.13  0.13  0.09  1.0
  P  P2  2  0.0  0.0  0.66  1.0

Li Cr Cr P
Li Cr Cr P 0 2 - o - 0 1 o - - 0 3 o o - 1 3 o + o 2 3 + o o 