data_CaSb2P
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.14
_cell_length_b   6.14
_cell_length_c   5.18
_cell_angle_alpha   96.58
_cell_angle_beta   96.58
_cell_angle_gamma   34.53
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CaSb2P
_chemical_formula_sum   'Ca1 Sb2 P1'
_cell_volume   109.89
_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
  Ca  Ca0  1  0.88  0.0  0.21  1.0
  Sb  Sb2  1  0.33  0.0  0.53  1.0
  Sb  Sb3  1  0.5  0.0  0.08  1.0
  P  P1  1  0.67  0.0  0.89  1.0

data_CaSb2P
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.64
_cell_length_b   5.18
_cell_length_c   6.14
_cell_angle_alpha   96.58
_cell_angle_beta   107.26
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CaSb2P
_chemical_formula_sum   'Ca1 Sb2 P1'
_cell_volume   109.89
_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
  Ca  Ca0  1  0.0  0.21  0.88  1.0
  Sb  Sb1  1  0.0  0.08  0.5  1.0
  Sb  Sb2  1  0.0  0.53  0.33  1.0
  P  P3  1  0.0  0.89  0.67  1.0

Ca Sb Sb P
Ca Sb Sb P 0 2 o o o 0 3 o o - 0 1 + o o 1 2 o o o 1 2 o o + 1 3 o o o 2 3 o o - 