data_[Sm2Cu3Ge1]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Sm  1.1700  1.8500  1.2290
  Cu  1.9000  1.3500  0.8200
  Ge  2.0100  1.2500  0.7700
]
_symmetry_space_group_name_H-M [Pmm2]
_cell_length_a [3.7598]
_cell_length_b [4.2266]
_cell_length_c [7.5262]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [25]
_chemical_formula_structural [Sm2Cu3Ge]
_chemical_formula_sum '[Sm2 Cu3 Ge1]'
_cell_volume [119.5991]
_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  1  0.0000  0.0000  0.5004  1
  Sm  Sm1  1  0.0000  0.5000  0.9987  1
  Cu  Cu2  1  0.5000  0.0000  0.1674  1
  Cu  Cu3  1  0.5000  0.0000  0.8371  1
  Cu  Cu4  1  0.5000  0.5000  0.6641  1
  Ge  Ge5  1  0.5000  0.5000  0.3324  1
]