data_[Pr4Ga1Te2Se1]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Pr  1.1300  1.8500  1.0600
  Ga  1.8100  1.3000  0.7600
  Te  2.1000  1.4000  1.2933
  Se  2.5500  1.1500  1.0133
]
_symmetry_space_group_name_H-M [P2/m]
_cell_length_a [7.6364]
_cell_length_b [4.4033]
_cell_length_c [7.7822]
_cell_angle_alpha [90.0000]
_cell_angle_beta [109.0830]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [10]
_chemical_formula_structural [Pr4GaTe2Se]
_chemical_formula_sum '[Pr4 Ga1 Te2 Se1]'
_cell_volume [247.2980]
_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  0.2482  0.0000  0.7263  1.0
  Pr  Pr1  2  0.2606  0.5000  0.2701  1.0
  Ga  Ga2  1  0.5000  0.0000  0.5000  1.0
  Te  Te3  1  0.0000  0.0000  0.0000  1.0
  Te  Te4  1  0.5000  0.5000  0.0000  1.0
  Se  Se5  1  0.0000  0.5000  0.5000  1.0
]