data_[Pm4Y4C4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Pm  1.1300  1.8500  1.1100
  Y  1.2200  1.8000  1.0400
  C  2.5500  0.7000  0.3000
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [12.8520]
_cell_length_b [3.6458]
_cell_length_c [6.3231]
_cell_angle_alpha [90.0000]
_cell_angle_beta [99.6840]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [PmYC]
_chemical_formula_sum '[Pm4 Y4 C4]'
_cell_volume [292.0534]
_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  0.1117  0.5000  0.3709  1
  Y  Y1  4  0.1054  0.0000  0.8697  1
  C  C2  2  0.0000  0.0000  0.5000  1
  C  C3  2  0.0000  0.5000  0.0000  1
]