data_CoAsP2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.64
_cell_length_b   5.64
_cell_length_c   5.64
_cell_angle_alpha   152.04
_cell_angle_beta   134.43
_cell_angle_gamma   54.32
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CoAsP2
_chemical_formula_sum   'Co1 As1 P2'
_cell_volume   59.68
_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
  Co  Co1  1  0.0  0.0  0.0  1.0
  As  As0  1  0.0  0.0  0.02  1.0
  P  P2  1  0.0  0.18  0.14  1.0
  P  P3  1  0.36  0.0  0.87  1.0

data_CoAsP2
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.72
_cell_length_b   4.37
_cell_length_c   5.64
_cell_angle_alpha   112.79
_cell_angle_beta   103.98
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CoAsP2
_chemical_formula_sum   'Co1 As1 P2'
_cell_volume   59.68
_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
  Co  Co0  1  0.0  0.0  0.0  1.0
  As  As1  1  0.0  0.02  0.02  1.0
  P  P2  1  0.0  0.87  0.51  1.0
  P  P3  1  0.82  0.96  0.96  1.0

Co As P P
Co As P P 0 1 o o o 0 2 o o o 0 3 o o - 0 3 - o - 1 2 o o o 1 3 o o - 1 3 - o - 2 3 o + o 2 3 o o - 2 3 - o - 3 3 o + + 