data_[Sm6Zr4Pa2As12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Sm  1.1700  1.8500  1.2290
  Zr  1.3300  1.5500  0.8600
  Pa  1.5000  1.8000  1.0400
  As  2.1800  1.1500  0.6600
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [7.0281]
_cell_length_b [12.1740]
_cell_length_c [7.1043]
_cell_angle_alpha [90.0000]
_cell_angle_beta [109.3015]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Sm3Zr2PaAs6]
_chemical_formula_sum '[Sm6 Zr4 Pa2 As12]'
_cell_volume [573.6814]
_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
[
  Sm  Sm0  4  0.0000  0.1650  0.5000  1
  Sm  Sm1  2  0.0000  0.5000  0.5000  1
  Zr  Zr2  4  0.0000  0.3333  0.0000  1
  Pa  Pa3  2  0.0000  0.0000  0.0000  1
  As  As4  8  0.2468  0.1690  0.2343  1
  As  As5  4  0.2390  0.5000  0.2309  1
]