data_[Sr6Ca2Pd2]
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
  Pd  2.2000  1.4000  0.8462
]
_symmetry_space_group_name_H-M [Pm]
_cell_length_a [8.4309]
_cell_length_b [6.1150]
_cell_length_c [9.3044]
_cell_angle_alpha [90.0000]
_cell_angle_beta [115.0028]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [6]
_chemical_formula_structural [Sr3CaPd]
_chemical_formula_sum '[Sr6 Ca2 Pd2]'
_cell_volume [434.7359]
_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  1  0.0480  0.0000  0.2288  1.0
  Sr  Sr1  1  0.2882  0.0000  0.7309  1.0
  Sr  Sr2  1  0.4292  0.5000  0.4863  1.0
  Sr  Sr3  1  0.5430  0.0000  0.2198  1.0
  Sr  Sr4  1  0.7943  0.0000  0.7395  1.0
  Sr  Sr5  1  0.9363  0.5000  0.4938  1.0
  Ca  Ca6  1  0.1717  0.5000  0.9827  1.0
  Ca  Ca7  1  0.6784  0.5000  0.9854  1.0
  Pd  Pd8  1  0.3237  0.5000  0.7600  1.0
  Pd  Pd9  1  0.9056  0.0000  0.4742  1.0
]