data_[Pr4Er4Ga4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Pr  1.1300  1.8500  1.0600
  Er  1.2400  1.7500  1.0300
  Ga  1.8100  1.3000  0.7600
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [11.8404]
_cell_length_b [4.4017]
_cell_length_c [8.2443]
_cell_angle_alpha [90.0000]
_cell_angle_beta [126.6918]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [PrErGa]
_chemical_formula_sum '[Pr4 Er4 Ga4]'
_cell_volume [344.5399]
_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  0.0863  0.5000  0.3570  1.0
  Er  Er1  4  0.1765  0.0000  0.0774  1.0
  Ga  Ga2  4  0.1283  0.0000  0.6687  1.0
]