data_CaTa2Ga
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.18
_cell_length_b   6.18
_cell_length_c   6.18
_cell_angle_alpha   152.6
_cell_angle_beta   131.04
_cell_angle_gamma   57.01
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CaTa2Ga
_chemical_formula_sum   'Ca1 Ta2 Ga1'
_cell_volume   81.59
_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
  Ta  Ta2  1  0.46  0.0  0.06  1.0
  Ta  Ta3  1  0.0  0.56  0.37  1.0
  Ga  Ga1  1  0.0  0.0  0.43  1.0

data_CaTa2Ga
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.93
_cell_length_b   5.13
_cell_length_c   6.18
_cell_angle_alpha   114.48
_cell_angle_beta   103.7
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CaTa2Ga
_chemical_formula_sum   'Ca1 Ta2 Ga1'
_cell_volume   81.59
_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
  Ta  Ta1  1  0.0  0.06  0.6  1.0
  Ta  Ta2  1  0.44  0.81  0.81  1.0
  Ga  Ga3  1  0.0  0.43  0.43  1.0

Ca Ta Ta Ga