data_[Pm8P2S4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Pm  1.1300  1.8500  1.1100
  P  2.1900  1.0000  0.5500
  S  2.5800  1.0000  0.8800
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [15.0653]
_cell_length_b [4.0231]
_cell_length_c [6.8710]
_cell_angle_alpha [90.0000]
_cell_angle_beta [116.6692]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Pm4PS2]
_chemical_formula_sum '[Pm8 P2 S4]'
_cell_volume [372.1414]
_cell_formula_units_Z [2]
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  0.1251  0.0000  0.4546  1
  Pm  Pm1  4  0.1254  0.5000  0.9667  1
  P  P2  2  0.0000  0.0000  0.0000  1
  S  S3  4  0.2424  0.5000  0.7393  1
]