data_[Nd2Cu3P3]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Nd  1.1400  1.8500  1.2765
  Cu  1.9000  1.3500  0.8200
  P  2.1900  1.0000  0.5500
]
_symmetry_space_group_name_H-M [P1]
_cell_length_a [4.6186]
_cell_length_b [7.7510]
_cell_length_c [17.7119]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [92.3302]
_symmetry_Int_Tables_number [1]
_chemical_formula_structural [Nd2(CuP)3]
_chemical_formula_sum '[Nd2 Cu3 P3]'
_cell_volume [633.5503]
_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
[
  Nd  Nd0  1  0.3788  0.1092  0.4433  1
  Nd  Nd1  1  0.8522  0.4994  0.5159  1
  Cu  Cu2  1  0.1368  0.8991  0.5818  1
  Cu  Cu3  1  0.3628  0.7311  0.4644  1
  Cu  Cu4  1  0.8836  0.8582  0.4554  1
  P  P5  1  0.3577  0.4566  0.4287  1
  P  P6  1  0.6139  0.8647  0.5689  1
  P  P7  1  0.8560  0.1259  0.5415  1
]