data_[Sr6Pr4Ta2As12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Sr  0.9500  2.0000  1.3200
  Pr  1.1300  1.8500  1.0600
  Ta  1.5000  1.4500  0.8200
  As  2.1800  1.1500  0.6600
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [7.3444]
_cell_length_b [12.6978]
_cell_length_c [7.5412]
_cell_angle_alpha [90.0000]
_cell_angle_beta [108.9546]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Sr3Pr2TaAs6]
_chemical_formula_sum '[Sr6 Pr4 Ta2 As12]'
_cell_volume [665.1397]
_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  0.0000  0.1733  0.5000  1.0
  Sr  Sr1  2  0.0000  0.5000  0.5000  1.0
  Pr  Pr2  4  0.0000  0.3343  0.0000  1.0
  Ta  Ta3  2  0.0000  0.0000  0.0000  1.0
  As  As4  8  0.2245  0.1516  0.2185  1.0
  As  As5  4  0.2267  0.0000  0.7789  1.0
]