data_Ca(InTe2)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.86
_cell_length_b   6.86
_cell_length_c   6.86
_cell_angle_alpha   105.65
_cell_angle_beta   105.65
_cell_angle_gamma   117.43
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ca(InTe2)2
_chemical_formula_sum   'Ca1 In2 Te4'
_cell_volume   244.34
_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
  In  In1  1  0.0  0.14  0.0  1.0
  In  In2  1  0.14  0.0  0.0  1.0
  Te  Te3  1  0.43  0.71  0.78  1.0
  Te  Te4  1  0.57  0.43  0.78  1.0
  Te  Te5  1  0.71  0.57  0.78  1.0
  Te  Te6  1  0.57  0.57  0.78  1.0

data_Ca(InTe2)2
_symmetry_space_group_name_H-M   P1
_cell_length_a   6.86
_cell_length_b   6.86
_cell_length_c   6.86
_cell_angle_alpha   105.65
_cell_angle_beta   105.65
_cell_angle_gamma   117.43
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ca(InTe2)2
_chemical_formula_sum   'Ca1 In2 Te4'
_cell_volume   244.34
_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
  In  In1  1  -0.0  0.86  0.0  1.0
  In  In2  1  0.86  0.0  0.0  1.0
  Te  Te3  1  0.07  0.21  0.78  1.0
  Te  Te4  1  0.21  0.35  0.78  1.0
  Te  Te5  1  0.21  0.21  0.78  1.0
  Te  Te6  1  0.35  0.07  0.78  1.0

Ca In In Te Te Te Te