data_[Pr4Te1As1P2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Pr  1.1300  1.8500  1.0600
  Te  2.1000  1.4000  1.2933
  As  2.1800  1.1500  0.6600
  P  2.1900  1.0000  0.5500
]
_symmetry_space_group_name_H-M [P2/m]
_cell_length_a [7.4614]
_cell_length_b [4.2926]
_cell_length_c [7.5091]
_cell_angle_alpha [90.0000]
_cell_angle_beta [109.1837]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [10]
_chemical_formula_structural [Pr4TeAsP2]
_chemical_formula_sum '[Pr4 Te1 As1 P2]'
_cell_volume [227.1526]
_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  0.2325  0.0000  0.7274  1.0
  Pr  Pr1  2  0.2455  0.5000  0.2640  1.0
  Te  Te2  1  0.5000  0.5000  0.0000  1.0
  As  As3  1  0.0000  0.0000  0.0000  1.0
  P  P4  1  0.0000  0.5000  0.5000  1.0
  P  P5  1  0.5000  0.0000  0.5000  1.0
]