data_CaGaSi2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.34
_cell_length_b   5.34
_cell_length_c   5.34
_cell_angle_alpha   134.85
_cell_angle_beta   134.85
_cell_angle_gamma   65.77
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CaGaSi2
_chemical_formula_sum   'Ca1 Ga1 Si2'
_cell_volume   75.48
_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  0.49  1.0
  Ga  Ga1  1  0.0  0.05  0.24  1.0
  Si  Si2  1  0.0  0.0  0.0  1.0
  Si  Si3  1  0.05  0.0  0.24  1.0

data_CaGaSi2
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.1
_cell_length_b   4.1
_cell_length_c   5.34
_cell_angle_alpha   112.58
_cell_angle_beta   112.58
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CaGaSi2
_chemical_formula_sum   'Ca1 Ga1 Si2'
_cell_volume   75.48
_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  0.49  0.49  0.49  1.0
  Ga  Ga1  1  0.19  0.24  0.19  1.0
  Si  Si2  1  0.0  0.0  0.0  1.0
  Si  Si3  1  0.24  0.19  0.19  1.0

Ca Ga Si Si