data_[Pm2Th4Be2C4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Pm  1.1300  1.8500  1.1100
  Th  1.3000  1.8000  1.0800
  Be  1.5700  1.0500  0.5900
  C  2.5500  0.7000  0.3000
]
_symmetry_space_group_name_H-M [Pnnm]
_cell_length_a [5.5901]
_cell_length_b [11.3895]
_cell_length_c [3.7432]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [58]
_chemical_formula_structural [PmTh2BeC2]
_chemical_formula_sum '[Pm2 Th4 Be2 C4]'
_cell_volume [238.3231]
_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  0.5000  0.0000  1
  Th  Th1  4  0.0077  0.7917  0.5000  1
  Be  Be2  2  0.0000  0.0000  0.0000  1
  C  C3  4  0.2184  0.1083  0.0000  1
]