data_[Pr2Tm2Si4Mo4C2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Pr  1.1300  1.8500  1.0600
  Tm  1.2500  1.7500  1.0950
  Si  1.9000  1.1000  0.5400
  Mo  2.1600  1.4500  0.7750
  C  2.5500  0.7000  0.3000
]
_symmetry_space_group_name_H-M [Cm]
_cell_length_a [11.1953]
_cell_length_b [3.8640]
_cell_length_c [7.2392]
_cell_angle_alpha [90.0000]
_cell_angle_beta [125.8733]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [8]
_chemical_formula_structural [PrTmSi2Mo2C]
_chemical_formula_sum '[Pr2 Tm2 Si4 Mo4 C2]'
_cell_volume [253.7558]
_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
[
  Pr  Pr0  2  0.0778  0.5000  0.3022  1
  Tm  Tm1  2  0.4275  0.0000  0.7079  1
  Si  Si2  2  0.1327  0.0000  0.6718  1
  Si  Si3  2  0.3678  0.5000  0.3354  1
  Mo  Mo4  2  0.2050  0.0000  0.0802  1
  Mo  Mo5  2  0.2933  0.5000  0.9160  1
  C  C6  2  0.4959  0.5000  0.9866  1
]