data_CaEu3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.97
_cell_length_b   6.97
_cell_length_c   6.97
_cell_angle_alpha   133.47
_cell_angle_beta   133.47
_cell_angle_gamma   67.92
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CaEu3
_chemical_formula_sum   'Ca1 Eu3'
_cell_volume   175.16
_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  0.0  0.0  0.0  1.0
  Eu  Eu1  1  0.0  0.0  0.78  1.0
  Eu  Eu2  1  0.0  0.75  0.89  1.0
  Eu  Eu3  1  0.75  0.0  0.89  1.0

data_CaEu3
_symmetry_space_group_name_H-M   Cm
_cell_length_a   7.79
_cell_length_b   7.79
_cell_length_c   6.97
_cell_angle_alpha   90.0
_cell_angle_beta   123.96
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   CaEu3
_chemical_formula_sum   'Ca2 Eu6'
_cell_volume   350.31
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  'x, -y, z'
  3  'x+1/2, y+1/2, z'
  4  'x+1/2, -y+1/2, 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  2  0.0  0.0  0.0  1.0
  Eu  Eu1  4  0.12  0.12  0.14  1.0
  Eu  Eu2  2  0.0  0.0  0.78  1.0

Ca Eu Eu Eu