data_[Sr4Sc2Ta2]
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
  Ta  1.5000  1.4500  0.8200
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [11.8525]
_cell_length_b [3.3073]
_cell_length_c [6.0443]
_cell_angle_alpha [90.0000]
_cell_angle_beta [97.9234]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Sr2ScTa]
_chemical_formula_sum '[Sr4 Sc2 Ta2]'
_cell_volume [234.6728]
_cell_formula_units_Z [2]
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  4  0.2392  0.0000  0.2378  1
  Sc  Sc1  2  0.0000  0.0000  0.5000  1
  Ta  Ta2  2  0.0000  0.5000  0.0000  1
]