data_[Li1Ca1Y2Te4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Li  0.9800  1.4500  0.9000
  Ca  1.0000  1.8000  1.1400
  Y  1.2200  1.8000  1.0400
  Te  2.1000  1.4000  1.2933
]
_symmetry_space_group_name_H-M [P2/m]
_cell_length_a [7.5418]
_cell_length_b [4.3668]
_cell_length_c [7.6958]
_cell_angle_alpha [90.0000]
_cell_angle_beta [109.0876]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [10]
_chemical_formula_structural [LiCa(YTe2)2]
_chemical_formula_sum '[Li1 Ca1 Y2 Te4]'
_cell_volume [239.5139]
_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
[
  Li  Li0  1  0.5000  0.5000  0.0000  1.0
  Ca  Ca1  1  0.0000  0.0000  0.0000  1.0
  Y  Y2  1  0.0000  0.5000  0.5000  1.0
  Y  Y3  1  0.5000  0.0000  0.5000  1.0
  Te  Te4  2  0.2555  0.0000  0.7513  1.0
  Te  Te5  2  0.2565  0.5000  0.2506  1.0
]