data_CaTaTe2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.68
_cell_length_b   5.68
_cell_length_c   5.16
_cell_angle_alpha   95.87
_cell_angle_beta   95.87
_cell_angle_gamma   37.53
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CaTaTe2
_chemical_formula_sum   'Ca1 Ta1 Te2'
_cell_volume   100.73
_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  0.99  0.0  0.11  1.0
  Ta  Ta1  1  0.47  0.0  0.44  1.0
  Te  Te2  1  0.1  0.0  0.63  1.0
  Te  Te3  1  0.92  0.0  0.64  1.0

data_CaTaTe2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.65
_cell_length_b   5.16
_cell_length_c   5.68
_cell_angle_alpha   95.87
_cell_angle_beta   108.76
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CaTaTe2
_chemical_formula_sum   'Ca1 Ta1 Te2'
_cell_volume   100.73
_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  0.11  0.99  1.0
  Ta  Ta1  1  0.0  0.44  0.47  1.0
  Te  Te2  1  0.0  0.63  0.1  1.0
  Te  Te3  1  0.0  0.64  0.92  1.0

Ca Ta Te Te