data_[Th3Mn3Pt3]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Th  1.3000  1.8000  1.0800
  Mn  1.5500  1.4000  0.6483
  Pt  2.2800  1.3500  0.8050
]
_symmetry_space_group_name_H-M [P-62m]
_cell_length_a [7.4099]
_cell_length_b [7.4099]
_cell_length_c [4.0486]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [189]
_chemical_formula_structural [ThMnPt]
_chemical_formula_sum '[Th3 Mn3 Pt3]'
_cell_volume [192.5169]
_cell_formula_units_Z [3]
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
[
  Th  Th0  3  0.0000  0.5936  0.0000  1
  Mn  Mn1  3  0.0000  0.2297  0.5000  1
  Pt  Pt2  2  0.3333  0.6667  0.5000  1
  Pt  Pt3  1  0.0000  0.0000  0.0000  1
]