data_[Pr4Er4Pt12]
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
  Pt  2.2800  1.3500  0.8050
]
_symmetry_space_group_name_H-M [Cmcm]
_cell_length_a [3.9212]
_cell_length_b [27.1036]
_cell_length_c [4.2295]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [63]
_chemical_formula_structural [PrErPt3]
_chemical_formula_sum '[Pr4 Er4 Pt12]'
_cell_volume [449.5092]
_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  0.0000  0.0746  0.2500  1.0
  Er  Er1  4  0.0000  0.2073  0.7500  1.0
  Pt  Pt2  4  0.0000  0.3117  0.7500  1.0
  Pt  Pt3  4  0.0000  0.3742  0.2500  1.0
  Pt  Pt4  4  0.0000  0.4708  0.2500  1.0
]