data_[Nd2Cu2Sb1As2P1]
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
  Sb  2.0500  1.4500  0.8300
  As  2.1800  1.1500  0.6600
  P  2.1900  1.0000  0.5500
]
_symmetry_space_group_name_H-M [P-4m2]
_cell_length_a [4.0031]
_cell_length_b [4.0031]
_cell_length_c [10.2189]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [115]
_chemical_formula_structural [Nd2Cu2SbAs2P]
_chemical_formula_sum '[Nd2 Cu2 Sb1 As2 P1]'
_cell_volume [163.7562]
_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  2  0.0000  0.5000  0.7543  1
  Cu  Cu1  1  0.0000  0.0000  0.5000  1
  Cu  Cu2  1  0.5000  0.5000  0.5000  1
  Sb  Sb3  1  0.5000  0.5000  0.0000  1
  As  As4  2  0.0000  0.5000  0.3507  1
  P  P5  1  0.0000  0.0000  0.0000  1
]