data_BaCa2Ga
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.25
_cell_length_b   7.25
_cell_length_c   7.25
_cell_angle_alpha   148.51
_cell_angle_beta   129.88
_cell_angle_gamma   60.4
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BaCa2Ga
_chemical_formula_sum   'Ba1 Ca2 Ga1'
_cell_volume   151.49
_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
  Ba  Ba0  1  0.0  0.0  0.27  1.0
  Ca  Ca1  1  0.97  0.0  0.42  1.0
  Ca  Ca2  1  0.0  0.07  0.85  1.0
  Ga  Ga3  1  0.0  0.0  0.0  1.0

data_BaCa2Ga
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.94
_cell_length_b   6.14
_cell_length_c   7.25
_cell_angle_alpha   115.06
_cell_angle_beta   105.75
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BaCa2Ga
_chemical_formula_sum   'Ba1 Ca2 Ga1'
_cell_volume   151.49
_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
  Ba  Ba0  1  0.73  0.73  0.73  1.0
  Ca  Ca1  1  0.15  0.22  0.22  1.0
  Ca  Ca2  1  0.55  0.58  0.55  1.0
  Ga  Ga3  1  0.0  0.0  0.0  1.0

Ba Ca Ca Ga