data_CaFe2Te
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.39
_cell_length_b   5.39
_cell_length_c   5.39
_cell_angle_alpha   136.68
_cell_angle_beta   133.57
_cell_angle_gamma   65.37
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CaFe2Te
_chemical_formula_sum   'Ca1 Fe2 Te1'
_cell_volume   76.8
_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
  Fe  Fe1  1  0.99  0.0  0.3  1.0
  Fe  Fe2  1  0.0  0.13  0.24  1.0
  Te  Te3  1  0.0  0.0  0.54  1.0

data_CaFe2Te
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.98
_cell_length_b   4.25
_cell_length_c   5.39
_cell_angle_alpha   113.21
_cell_angle_beta   111.66
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CaFe2Te
_chemical_formula_sum   'Ca1 Fe2 Te1'
_cell_volume   76.8
_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
  Fe  Fe1  1  0.0  0.3  0.31  1.0
  Fe  Fe2  1  0.87  0.11  0.11  1.0
  Te  Te3  1  0.0  0.54  0.54  1.0

Ca Fe Fe Te