data_CaTa2Ga
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.96
_cell_length_b   5.96
_cell_length_c   5.96
_cell_angle_alpha   150.04
_cell_angle_beta   127.37
_cell_angle_gamma   61.75
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CaTa2Ga
_chemical_formula_sum   'Ca1 Ta2 Ga1'
_cell_volume   83.24
_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  0.19  1.0
  Ta  Ta2  1  0.0  0.0  0.22  1.0
  Ta  Ta3  1  0.54  0.0  0.26  1.0
  Ga  Ga1  1  0.0  0.64  0.79  1.0

data_CaTa2Ga
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.08
_cell_length_b   5.28
_cell_length_c   5.96
_cell_angle_alpha   116.32
_cell_angle_beta   104.98
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CaTa2Ga
_chemical_formula_sum   'Ca1 Ta2 Ga1'
_cell_volume   83.24
_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  0.19  0.19  1.0
  Ta  Ta1  1  0.0  0.22  0.22  1.0
  Ta  Ta2  1  0.0  0.26  0.72  1.0
  Ga  Ga3  1  0.36  0.15  0.15  1.0

Ca Ta Ta Ga