data_[Pm4Mo4S4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Pm  1.1300  1.8500  1.1100
  Mo  2.1600  1.4500  0.7750
  S  2.5800  1.0000  0.8800
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [12.6815]
_cell_length_b [3.5113]
_cell_length_c [6.5108]
_cell_angle_alpha [90.0000]
_cell_angle_beta [117.7013]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [PmMoS]
_chemical_formula_sum '[Pm4 Mo4 S4]'
_cell_volume [256.6824]
_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
[
  Pm  Pm0  4  0.0888  0.5000  0.3022  1
  Mo  Mo1  4  0.1525  0.0000  0.8349  1
  S  S2  4  0.2440  0.0000  0.2404  1
]