data_[Nd1Gd1Cu2P4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Nd  1.1400  1.8500  1.2765
  Gd  1.2000  1.8000  1.0750
  Cu  1.9000  1.3500  0.8200
  P  2.1900  1.0000  0.5500
]
_symmetry_space_group_name_H-M [P4mm]
_cell_length_a [3.7596]
_cell_length_b [3.7596]
_cell_length_c [9.9109]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [99]
_chemical_formula_structural [NdGd(CuP2)2]
_chemical_formula_sum '[Nd1 Gd1 Cu2 P4]'
_cell_volume [140.0863]
_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  0.5000  0.5000  0.2337  1
  Gd  Gd1  1  0.0000  0.0000  0.7667  1
  Cu  Cu2  2  0.0000  0.5000  0.5003  1
  P  P3  2  0.0000  0.5000  0.9985  1
  P  P4  1  0.0000  0.0000  0.3546  1
  P  P5  1  0.5000  0.5000  0.6472  1
]