data_Ca2GaTe
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.56
_cell_length_b   6.56
_cell_length_c   4.56
_cell_angle_alpha   107.53
_cell_angle_beta   107.53
_cell_angle_gamma   38.42
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ca2GaTe
_chemical_formula_sum   'Ca2 Ga1 Te1'
_cell_volume   115.55
_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  0.04  0.0  0.12  1.0
  Ca  Ca1  1  0.06  0.0  0.14  1.0
  Ga  Ga2  1  0.39  0.0  0.27  1.0
  Te  Te3  1  0.92  0.0  0.95  1.0

data_Ca2GaTe
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.32
_cell_length_b   4.56
_cell_length_c   6.56
_cell_angle_alpha   107.53
_cell_angle_beta   109.21
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ca2GaTe
_chemical_formula_sum   'Ca2 Ga1 Te1'
_cell_volume   115.55
_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  0.12  0.04  1.0
  Ca  Ca1  1  0.0  0.14  0.06  1.0
  Ga  Ga2  1  0.0  0.27  0.39  1.0
  Te  Te3  1  0.0  0.95  0.92  1.0

Ca Ca Ga Te
Ca Ca Ga Te 0 1 o o o 0 2 o o o 0 3 - o - 1 2 o o o 1 3 - o - 