data_CaY2Ga
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.04
_cell_length_b   6.04
_cell_length_c   6.04
_cell_angle_alpha   134.28
_cell_angle_beta   134.28
_cell_angle_gamma   66.65
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CaY2Ga
_chemical_formula_sum   'Ca1 Y2 Ga1'
_cell_volume   110.92
_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
  Y  Y2  1  0.0  0.0  0.04  1.0
  Y  Y3  1  0.0  0.34  0.52  1.0
  Ga  Ga1  1  0.34  0.0  0.52  1.0

data_CaY2Ga
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.69
_cell_length_b   4.69
_cell_length_c   6.04
_cell_angle_alpha   112.86
_cell_angle_beta   112.86
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CaY2Ga
_chemical_formula_sum   'Ca1 Y2 Ga1'
_cell_volume   110.92
_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
  Y  Y1  1  0.04  0.04  0.04  1.0
  Y  Y2  1  0.18  0.52  0.18  1.0
  Ga  Ga3  1  0.52  0.18  0.18  1.0

Ca Y Y Ga