data_[Pr4Mn2As5]
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
  As  2.1800  1.1500  0.6600
]
_symmetry_space_group_name_H-M [P-3m1]
_cell_length_a [4.2119]
_cell_length_b [4.2119]
_cell_length_c [17.6043]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [164]
_chemical_formula_structural [Pr4Mn2As5]
_chemical_formula_sum '[Pr4 Mn2 As5]'
_cell_volume [270.4635]
_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  0.0000  0.3028  1.0
  Pr  Pr1  2  0.3333  0.6667  0.8987  1.0
  Mn  Mn2  2  0.3333  0.6667  0.4521  1.0
  As  As3  2  0.3333  0.6667  0.2039  1.0
  As  As4  2  0.3333  0.6667  0.5900  1.0
  As  As5  1  0.0000  0.0000  0.0000  1.0
]