data_[Pr2Mn3Cu9As7]
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
  As  2.1800  1.1500  0.6600
]
_symmetry_space_group_name_H-M [P-6]
_cell_length_a [9.8841]
_cell_length_b [9.8841]
_cell_length_c [3.9882]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [174]
_chemical_formula_structural [Pr2Mn3Cu9As7]
_chemical_formula_sum '[Pr2 Mn3 Cu9 As7]'
_cell_volume [337.4262]
_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  1  0.0000  0.0000  0.0000  1
  Pr  Pr1  1  0.6667  0.3333  0.5000  1
  Mn  Mn2  3  0.1128  0.5427  0.5000  1
  Cu  Cu3  3  0.1720  0.7875  0.0000  1
  Cu  Cu4  3  0.2898  0.2424  0.5000  1
  Cu  Cu5  3  0.3809  0.0898  0.0000  1
  As  As6  3  0.0393  0.2546  0.5000  1
  As  As7  3  0.4555  0.3740  0.0000  1
  As  As8  1  0.3333  0.6667  0.0000  1
]