data_[Ga5P3Se3]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ga  1.8100  1.3000  0.7600
  P  2.1900  1.0000  0.5500
  Se  2.5500  1.1500  1.0133
]
_symmetry_space_group_name_H-M [Pmm2]
_cell_length_a [3.8992]
_cell_length_b [11.6987]
_cell_length_c [5.5636]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [25]
_chemical_formula_structural [Ga5(PSe)3]
_chemical_formula_sum '[Ga5 P3 Se3]'
_cell_volume [253.7888]
_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
[
  Ga  Ga0  2  0.0000  0.1636  0.0106  1.0
  Ga  Ga1  2  0.5000  0.3370  0.4987  1.0
  Ga  Ga2  1  0.0000  0.5000  0.0017  1.0
  P  P3  2  0.0000  0.3335  0.2510  1.0
  P  P4  1  0.5000  0.5000  0.7535  1.0
  Se  Se5  2  0.5000  0.1579  0.7307  1.0
  Se  Se6  1  0.0000  0.0000  0.2629  1.0
]