data_[Pm4Mg4Se12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Pm  1.1300  1.8500  1.1100
  Mg  1.3100  1.5000  0.8600
  Se  2.5500  1.1500  1.0133
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [8.6489]
_cell_length_b [11.8963]
_cell_length_c [6.3263]
_cell_angle_alpha [90.0000]
_cell_angle_beta [119.0416]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [PmMgSe3]
_chemical_formula_sum '[Pm4 Mg4 Se12]'
_cell_volume [569.0695]
_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  0.2298  0.0000  0.1817  1
  Mg  Mg1  4  0.0000  0.3285  0.0000  1
  Se  Se2  8  0.0221  0.1565  0.7627  1
  Se  Se3  4  0.1022  0.5000  0.3013  1
]