data_[Sm2Ge1Pt3]
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
  Pt  2.2800  1.3500  0.8050
]
_symmetry_space_group_name_H-M [Pmm2]
_cell_length_a [3.7490]
_cell_length_b [4.3758]
_cell_length_c [7.8648]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [25]
_chemical_formula_structural [Sm2GePt3]
_chemical_formula_sum '[Sm2 Ge1 Pt3]'
_cell_volume [129.0203]
_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  0.5170  1.0
  Sm  Sm1  1  0.0000  0.5000  0.9859  1.0
  Ge  Ge2  1  0.5000  0.5000  0.3253  1.0
  Pt  Pt3  1  0.5000  0.0000  0.1860  1.0
  Pt  Pt4  1  0.5000  0.0000  0.8443  1.0
  Pt  Pt5  1  0.5000  0.5000  0.6416  1.0
]