data_[Sr4Li2Ta2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Sr  0.9500  2.0000  1.3200
  Li  0.9800  1.4500  0.9000
  Ta  1.5000  1.4500  0.8200
]
_symmetry_space_group_name_H-M [Cm]
_cell_length_a [12.5347]
_cell_length_b [3.3374]
_cell_length_c [6.0969]
_cell_angle_alpha [90.0000]
_cell_angle_beta [106.6206]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [8]
_chemical_formula_structural [Sr2LiTa]
_chemical_formula_sum '[Sr4 Li2 Ta2]'
_cell_volume [244.3972]
_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  2  0.2774  0.5000  0.3254  1
  Sr  Sr1  2  0.4804  0.5000  0.9390  1
  Li  Li2  2  0.2110  0.0000  0.7678  1
  Ta  Ta3  2  0.0312  0.5000  0.4678  1
]