data_[Li4Th4Mn4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Li  0.9800  1.4500  0.9000
  Th  1.3000  1.8000  1.0800
  Mn  1.5500  1.4000  0.6483
]
_symmetry_space_group_name_H-M [Cmcm]
_cell_length_a [3.9960]
_cell_length_b [17.9446]
_cell_length_c [3.7579]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [63]
_chemical_formula_structural [LiThMn]
_chemical_formula_sum '[Li4 Th4 Mn4]'
_cell_volume [269.4655]
_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
[
  Li  Li0  4  0.0000  0.2912  0.2500  1
  Th  Th1  4  0.0000  0.0933  0.2500  1
  Mn  Mn2  4  0.0000  0.4697  0.2500  1
]