data_[Sr1Sc2Cr1]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Sr  0.9500  2.0000  1.3200
  Sc  1.3600  1.6000  0.8850
  Cr  1.6600  1.4000  0.9400
]
_symmetry_space_group_name_H-M [Pmmm]
_cell_length_a [3.8515]
_cell_length_b [5.2376]
_cell_length_c [5.2748]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [47]
_chemical_formula_structural [SrSc2Cr]
_chemical_formula_sum '[Sr1 Sc2 Cr1]'
_cell_volume [106.4066]
_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
[
  Sr  Sr0  1  0.5000  0.0000  0.5000  1
  Sc  Sc1  1  0.0000  0.0000  0.0000  1
  Sc  Sc2  1  0.5000  0.5000  0.0000  1
  Cr  Cr3  1  0.0000  0.5000  0.5000  1
]