data_[Cu3Sn2P3]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Cu  1.9000  1.3500  0.8200
  Sn  1.9600  1.4500  0.8300
  P  2.1900  1.0000  0.5500
]
_symmetry_space_group_name_H-M [P1]
_cell_length_a [4.0559]
_cell_length_b [5.4210]
_cell_length_c [19.5695]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [93.8447]
_symmetry_Int_Tables_number [1]
_chemical_formula_structural [Cu3Sn2P3]
_chemical_formula_sum '[Cu3 Sn2 P3]'
_cell_volume [429.3068]
_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  0.3430  0.3979  0.4501  1
  Cu  Cu1  1  0.8348  0.2728  0.5126  1
  Cu  Cu2  1  0.9663  0.7641  0.4931  1
  Sn  Sn3  1  0.4789  0.8879  0.3970  1
  Sn  Sn4  1  0.7721  0.5817  0.6305  1
  P  P5  1  0.3290  0.2563  0.5718  1
  P  P6  1  0.4613  0.8785  0.5463  1
  P  P7  1  0.8522  0.4837  0.3987  1
]