data_[Pr4Th4Co4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Pr  1.1300  1.8500  1.0600
  Th  1.3000  1.8000  1.0800
  Co  1.8800  1.3500  0.7683
]
_symmetry_space_group_name_H-M [Immm]
_cell_length_a [3.6867]
_cell_length_b [6.9443]
_cell_length_c [12.3349]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [71]
_chemical_formula_structural [PrThCo]
_chemical_formula_sum '[Pr4 Th4 Co4]'
_cell_volume [315.7897]
_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  0.0000  0.2814  1
  Th  Th1  4  0.0000  0.2402  0.0000  1
  Co  Co2  4  0.0000  0.5000  0.3927  1
]