data_[Sm4Ge1P2Cl1]
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
  P  2.1900  1.0000  0.5500
  Cl  3.1600  1.0000  0.7800
]
_symmetry_space_group_name_H-M [P2/m]
_cell_length_a [7.1215]
_cell_length_b [4.1388]
_cell_length_c [7.1585]
_cell_angle_alpha [90.0000]
_cell_angle_beta [109.2104]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [10]
_chemical_formula_structural [Sm4GeP2Cl]
_chemical_formula_sum '[Sm4 Ge1 P2 Cl1]'
_cell_volume [199.2446]
_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  0.2518  0.5000  0.2407  1.0
  Sm  Sm1  2  0.2669  0.0000  0.7696  1.0
  Ge  Ge2  1  0.5000  0.0000  0.5000  1.0
  P  P3  1  0.0000  0.0000  0.0000  1.0
  P  P4  1  0.5000  0.5000  0.0000  1.0
  Cl  Cl5  1  0.0000  0.5000  0.5000  1.0
]