data_[Pr4Si4As4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Pr  1.1300  1.8500  1.0600
  Si  1.9000  1.1000  0.5400
  As  2.1800  1.1500  0.6600
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [10.5022]
_cell_length_b [4.1106]
_cell_length_c [8.7512]
_cell_angle_alpha [90.0000]
_cell_angle_beta [122.7779]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [PrSiAs]
_chemical_formula_sum '[Pr4 Si4 As4]'
_cell_volume [317.6386]
_cell_formula_units_Z [4]
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  4  0.0476  0.0000  0.7877  1
  Si  Si1  4  0.1874  0.5000  0.5070  1
  As  As2  4  0.2311  0.0000  0.1822  1
]