data_[Sm4Mn4As12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Sm  1.1700  1.8500  1.2290
  Mn  1.5500  1.4000  0.6483
  As  2.1800  1.1500  0.6600
]
_symmetry_space_group_name_H-M [Pbcm]
_cell_length_a [12.3049]
_cell_length_b [5.6978]
_cell_length_c [5.5913]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [57]
_chemical_formula_structural [SmMnAs3]
_chemical_formula_sum '[Sm4 Mn4 As12]'
_cell_volume [392.0104]
_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
[
  Sm  Sm0  4  0.3108  0.0042  0.2500  1
  Mn  Mn1  4  0.0853  0.7500  0.0000  1
  As  As2  4  0.0673  0.1087  0.2500  1
  As  As3  4  0.2150  0.5042  0.2500  1
  As  As4  4  0.4986  0.7500  0.0000  1
]