data_[Tb1Pr1Cu2P4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Tb  1.1000  1.7500  0.9815
  Pr  1.1300  1.8500  1.0600
  Cu  1.9000  1.3500  0.8200
  P  2.1900  1.0000  0.5500
]
_symmetry_space_group_name_H-M [P4mm]
_cell_length_a [3.7709]
_cell_length_b [3.7709]
_cell_length_c [9.9313]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [99]
_chemical_formula_structural [TbPr(CuP2)2]
_chemical_formula_sum '[Tb1 Pr1 Cu2 P4]'
_cell_volume [141.2163]
_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
[
  Tb  Tb0  1  0.0000  0.0000  0.7654  1
  Pr  Pr1  1  0.5000  0.5000  0.2311  1
  Cu  Cu2  2  0.0000  0.5000  0.5041  1
  P  P3  2  0.0000  0.5000  0.9924  1
  P  P4  1  0.0000  0.0000  0.3567  1
  P  P5  1  0.5000  0.5000  0.6540  1
]