data_CuSn2P
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.04
_cell_length_b   6.04
_cell_length_c   6.04
_cell_angle_alpha   141.87
_cell_angle_beta   141.87
_cell_angle_gamma   55.02
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CuSn2P
_chemical_formula_sum   'Cu1 Sn2 P1'
_cell_volume   83.39
_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
  Cu  Cu0  1  0.0  0.97  0.68  1.0
  Sn  Sn2  1  0.97  0.0  0.68  1.0
  Sn  Sn3  1  0.0  0.0  0.36  1.0
  P  P1  1  0.0  0.0  0.0  1.0

data_CuSn2P
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.95
_cell_length_b   3.95
_cell_length_c   6.04
_cell_angle_alpha   109.06
_cell_angle_beta   109.06
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CuSn2P
_chemical_formula_sum   'Cu1 Sn2 P1'
_cell_volume   83.39
_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
  Cu  Cu0  1  0.71  0.68  0.71  1.0
  Sn  Sn1  1  0.36  0.36  0.36  1.0
  Sn  Sn2  1  0.68  0.71  0.71  1.0
  P  P3  1  0.0  0.0  0.0  1.0

Cu Sn Sn P