data_[Li1Ca1Co1B1Pd1]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Li  0.9800  1.4500  0.9000
  Ca  1.0000  1.8000  1.1400
  Co  1.8800  1.3500  0.7683
  B  2.0400  0.8500  0.4100
  Pd  2.2000  1.4000  0.8462
]
_symmetry_space_group_name_H-M [Pmm2]
_cell_length_a [3.1123]
_cell_length_b [4.3842]
_cell_length_c [5.4306]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [25]
_chemical_formula_structural [LiCaCoBPd]
_chemical_formula_sum '[Li1 Ca1 Co1 B1 Pd1]'
_cell_volume [74.0991]
_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
[
  Li  Li0  1  0.5000  0.0000  0.5932  1
  Ca  Ca1  1  0.0000  0.0000  0.1149  1
  Co  Co2  1  0.5000  0.5000  0.3451  1
  B  B3  1  0.0000  0.5000  0.5561  1
  Pd  Pd4  1  0.5000  0.5000  0.8422  1
]