data_[Ca6Ga14Pd8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ca  1.0000  1.8000  1.1400
  Ga  1.8100  1.3000  0.7600
  Pd  2.2000  1.4000  0.8462
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [15.7203]
_cell_length_b [4.3951]
_cell_length_c [9.2580]
_cell_angle_alpha [90.0000]
_cell_angle_beta [123.4870]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Ca3Ga7Pd4]
_chemical_formula_sum '[Ca6 Ga14 Pd8]'
_cell_volume [533.4791]
_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
[
  Ca  Ca0  4  0.1966  0.5000  0.1990  1
  Ca  Ca1  2  0.0000  0.0000  0.5000  1
  Ga  Ga2  4  0.0022  0.5000  0.2082  1
  Ga  Ga3  4  0.1478  0.0000  0.9245  1
  Ga  Ga4  4  0.1793  0.5000  0.5294  1
  Ga  Ga5  2  0.0000  0.0000  0.0000  1
  Pd  Pd6  4  0.1214  0.0000  0.3433  1
  Pd  Pd7  4  0.1602  0.5000  0.7920  1
]