data_CaCr2Pd
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.03
_cell_length_b   3.01
_cell_length_c   7.31
_cell_angle_alpha   90.0
_cell_angle_beta   93.57
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CaCr2Pd
_chemical_formula_sum   'Ca1 Cr2 Pd1'
_cell_volume   66.5
_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
  Ca  Ca0  1  0.31  0.0  0.81  1.0
  Cr  Cr1  1  0.49  0.5  0.77  1.0
  Cr  Cr2  1  0.34  0.0  0.7  1.0
  Pd  Pd3  1  0.78  0.5  0.97  1.0

data_CaCr2Pd
_symmetry_space_group_name_H-M   Pm
_cell_length_a   3.03
_cell_length_b   3.01
_cell_length_c   7.31
_cell_angle_alpha   90.0
_cell_angle_beta   93.57
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   6
_chemical_formula_structural   CaCr2Pd
_chemical_formula_sum   'Ca1 Cr2 Pd1'
_cell_volume   66.5
_cell_formula_units_Z   1
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  '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  1  0.31  0.0  0.81  1.0
  Cr  Cr1  1  0.34  0.0  0.7  1.0
  Cr  Cr2  1  0.49  0.5  0.77  1.0
  Pd  Pd3  1  0.78  0.5  0.97  1.0

Ca Cr Cr Pd