data_[Pr2Mn1Cu1Sb4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Pr  1.1300  1.8500  1.0600
  Mn  1.5500  1.4000  0.6483
  Cu  1.9000  1.3500  0.8200
  Sb  2.0500  1.4500  0.8300
]
_symmetry_space_group_name_H-M [P-4m2]
_cell_length_a [4.3632]
_cell_length_b [4.3632]
_cell_length_c [10.5075]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [115]
_chemical_formula_structural [Pr2MnCuSb4]
_chemical_formula_sum '[Pr2 Mn1 Cu1 Sb4]'
_cell_volume [200.0379]
_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
[
  Pr  Pr0  2  0.0000  0.5000  0.2596  1
  Mn  Mn1  1  0.5000  0.5000  0.0000  1
  Cu  Cu2  1  0.0000  0.0000  0.0000  1
  Sb  Sb3  2  0.0000  0.5000  0.8456  1
  Sb  Sb4  1  0.0000  0.0000  0.5000  1
  Sb  Sb5  1  0.5000  0.5000  0.5000  1
]