data_[Pm2Mn2Si4Mo2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Pm  1.1300  1.8500  1.1100
  Mn  1.5500  1.4000  0.6483
  Si  1.9000  1.1000  0.5400
  Mo  2.1600  1.4500  0.7750
]
_symmetry_space_group_name_H-M [I-4m2]
_cell_length_a [3.9974]
_cell_length_b [3.9974]
_cell_length_c [11.0049]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [119]
_chemical_formula_structural [PmMnSi2Mo]
_chemical_formula_sum '[Pm2 Mn2 Si4 Mo2]'
_cell_volume [175.8512]
_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  2  0.0000  0.0000  0.0000  1
  Mn  Mn1  2  0.0000  0.5000  0.2500  1
  Si  Si2  4  0.0000  0.0000  0.3862  1
  Mo  Mo3  2  0.0000  0.5000  0.7500  1
]