data_[Sm4Ge1As2Se1]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Sm  1.1700  1.8500  1.2290
  Ge  2.0100  1.2500  0.7700
  As  2.1800  1.1500  0.6600
  Se  2.5500  1.1500  1.0133
]
_symmetry_space_group_name_H-M [P2/m]
_cell_length_a [7.3001]
_cell_length_b [4.1965]
_cell_length_c [7.3072]
_cell_angle_alpha [90.0000]
_cell_angle_beta [109.3168]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [10]
_chemical_formula_structural [Sm4GeAs2Se]
_chemical_formula_sum '[Sm4 Ge1 As2 Se1]'
_cell_volume [211.2548]
_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  0.2522  0.5000  0.2485  1.0
  Sm  Sm1  2  0.2552  0.0000  0.7575  1.0
  Ge  Ge2  1  0.0000  0.0000  0.0000  1.0
  As  As3  1  0.5000  0.0000  0.5000  1.0
  As  As4  1  0.5000  0.5000  0.0000  1.0
  Se  Se5  1  0.0000  0.5000  0.5000  1.0
]