data_Ca(ErTe2)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.48
_cell_length_b   4.39
_cell_length_c   7.76
_cell_angle_alpha   90.0
_cell_angle_beta   107.63
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ca(ErTe2)2
_chemical_formula_sum   'Ca1 Er2 Te4'
_cell_volume   243.11
_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
  Er  Er1  1  0.56  0.0  0.7  1.0
  Er  Er2  1  0.82  0.2  0.7  1.0
  Te  Te3  1  0.34  0.2  0.9  1.0
  Te  Te4  1  0.03  0.0  0.95  1.0
  Te  Te5  1  0.78  0.2  0.5  1.0
  Te  Te6  1  0.1  0.0  0.45  1.0

data_Ca(ErTe2)2
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.39
_cell_length_b   7.48
_cell_length_c   7.76
_cell_angle_alpha   107.63
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ca(ErTe2)2
_chemical_formula_sum   'Ca1 Er2 Te4'
_cell_volume   243.11
_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
  Er  Er1  1  0.0  0.44  0.3  1.0
  Er  Er2  1  0.8  0.18  0.3  1.0
  Te  Te3  1  0.0  0.9  0.55  1.0
  Te  Te4  1  0.0  0.97  0.05  1.0
  Te  Te5  1  0.8  0.22  0.5  1.0
  Te  Te6  1  0.8  0.66  0.1  1.0

Ca Er Er Te Te Te Te
Ca Er Er Te Te Te Te 0 4 o o - 0 3 o o - 0 6 o o o 1 2 o o o 1 3 o o o 1 6 o o o 2 5 o o o 2 6 + o o 3 4 o o o 5 6 + o o 