data_[Ca8Y4Ga4Te20]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ca  1.0000  1.8000  1.1400
  Y  1.2200  1.8000  1.0400
  Ga  1.8100  1.3000  0.7600
  Te  2.1000  1.4000  1.2933
]
_symmetry_space_group_name_H-M [Cmc2_1]
_cell_length_a [4.2902]
_cell_length_b [19.7749]
_cell_length_c [13.4979]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [36]
_chemical_formula_structural [Ca2YGaTe5]
_chemical_formula_sum '[Ca8 Y4 Ga4 Te20]'
_cell_volume [1145.1476]
_cell_formula_units_Z [4]
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  4  0.0000  0.1192  0.6773  1.0
  Ca  Ca1  4  0.0000  0.1234  0.3229  1.0
  Y  Y2  4  0.0000  0.2041  0.0237  1.0
  Ga  Ga3  4  0.0000  0.4406  0.4358  1.0
  Te  Te4  4  0.0000  0.0436  0.0538  1.0
  Te  Te5  4  0.0000  0.2921  0.6829  1.0
  Te  Te6  4  0.0000  0.3148  0.3573  1.0
  Te  Te7  4  0.0000  0.3571  0.0037  1.0
  Te  Te8  4  0.0000  0.4971  0.7665  1.0
]