data_[Pr4Ga3Si1]
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
  Si  1.9000  1.1000  0.5400
]
_symmetry_space_group_name_H-M [Pmm2]
_cell_length_a [4.1108]
_cell_length_b [4.5023]
_cell_length_c [11.4299]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [25]
_chemical_formula_structural [Pr4Ga3Si]
_chemical_formula_sum '[Pr4 Ga3 Si1]'
_cell_volume [211.5431]
_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  1  0.0000  0.0000  0.8595  1
  Pr  Pr1  1  0.0000  0.5000  0.3584  1
  Pr  Pr2  1  0.5000  0.0000  0.1384  1
  Pr  Pr3  1  0.5000  0.5000  0.6449  1
  Ga  Ga4  1  0.0000  0.0000  0.5727  1
  Ga  Ga5  1  0.0000  0.5000  0.0674  1
  Ga  Ga6  1  0.5000  0.0000  0.4288  1
  Si  Si7  1  0.5000  0.5000  0.9300  1
]