data_[Sm4Ni1P1Br2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Sm  1.1700  1.8500  1.2290
  Ni  1.9100  1.3500  0.7400
  P  2.1900  1.0000  0.5500
  Br  2.9600  1.1500  0.8825
]
_symmetry_space_group_name_H-M [P2/m]
_cell_length_a [7.3207]
_cell_length_b [3.9852]
_cell_length_c [7.6286]
_cell_angle_alpha [90.0000]
_cell_angle_beta [106.9819]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [10]
_chemical_formula_structural [Sm4NiPBr2]
_chemical_formula_sum '[Sm4 Ni1 P1 Br2]'
_cell_volume [212.8602]
_cell_formula_units_Z [1]
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  2  0.2163  0.5000  0.1962  1
  Sm  Sm1  2  0.2647  0.0000  0.7946  1
  Ni  Ni2  1  0.0000  0.0000  0.0000  1
  P  P3  1  0.5000  0.5000  0.0000  1
  Br  Br4  1  0.0000  0.5000  0.5000  1
  Br  Br5  1  0.5000  0.0000  0.5000  1
]