data_[Sc4Co2Sn5]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Sc  1.3600  1.6000  0.8850
  Co  1.8800  1.3500  0.7683
  Sn  1.9600  1.4500  0.8300
]
_symmetry_space_group_name_H-M [P2/m]
_cell_length_a [7.5368]
_cell_length_b [3.3065]
_cell_length_c [9.2143]
_cell_angle_alpha [90.0000]
_cell_angle_beta [93.7739]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [10]
_chemical_formula_structural [Sc4Co2Sn5]
_chemical_formula_sum '[Sc4 Co2 Sn5]'
_cell_volume [229.1279]
_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
[
  Sc  Sc0  2  0.1957  0.5000  0.4339  1.0
  Sc  Sc1  2  0.1976  0.5000  0.8417  1.0
  Co  Co2  2  0.0813  0.0000  0.6361  1.0
  Sn  Sn3  2  0.1386  0.0000  0.1420  1.0
  Sn  Sn4  2  0.4520  0.0000  0.6610  1.0
  Sn  Sn5  1  0.5000  0.0000  0.0000  1.0
]