data_[Sr1Ca1Ta2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Sr  0.9500  2.0000  1.3200
  Ca  1.0000  1.8000  1.1400
  Ta  1.5000  1.4500  0.8200
]
_symmetry_space_group_name_H-M [P2/m]
_cell_length_a [3.0362]
_cell_length_b [5.6051]
_cell_length_c [6.7625]
_cell_angle_alpha [90.0000]
_cell_angle_beta [101.7892]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [10]
_chemical_formula_structural [SrCaTa2]
_chemical_formula_sum '[Sr1 Ca1 Ta2]'
_cell_volume [112.6581]
_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  0.0000  0.5000  0.5000  1
  Ca  Ca1  1  0.5000  0.5000  0.0000  1
  Ta  Ta2  2  0.2890  0.0000  0.1702  1
]