data_Ca2YTe
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.9
_cell_length_b   6.9
_cell_length_c   6.9
_cell_angle_alpha   146.61
_cell_angle_beta   133.19
_cell_angle_gamma   58.71
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ca2YTe
_chemical_formula_sum   'Ca2 Y1 Te1'
_cell_volume   130.67
_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  0.98  0.0  0.45  1.0
  Ca  Ca1  1  0.0  0.74  0.57  1.0
  Y  Y3  1  0.0  0.0  0.0  1.0
  Te  Te2  1  0.0  0.0  0.01  1.0

data_Ca2YTe
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.96
_cell_length_b   5.48
_cell_length_c   6.9
_cell_angle_alpha   113.41
_cell_angle_beta   106.69
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ca2YTe
_chemical_formula_sum   'Ca2 Y1 Te1'
_cell_volume   130.67
_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  0.45  0.47  1.0
  Ca  Ca1  1  0.26  0.83  0.83  1.0
  Y  Y2  1  0.0  0.0  0.0  1.0
  Te  Te3  1  0.0  0.01  0.01  1.0

Ca Ca Y Te