data_[Ca4Te2W2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ca  1.0000  1.8000  1.1400
  Te  2.1000  1.4000  1.2933
  W  2.3600  1.3500  0.7667
]
_symmetry_space_group_name_H-M [Cm]
_cell_length_a [11.7022]
_cell_length_b [3.4521]
_cell_length_c [5.5085]
_cell_angle_alpha [90.0000]
_cell_angle_beta [108.6292]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [8]
_chemical_formula_structural [Ca2TeW]
_chemical_formula_sum '[Ca4 Te2 W2]'
_cell_volume [210.8704]
_cell_formula_units_Z [2]
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  2  0.2743  0.5000  0.3003  1
  Ca  Ca1  2  0.4720  0.5000  0.9431  1
  Te  Te2  2  0.0386  0.5000  0.4975  1
  W  W3  2  0.2151  0.0000  0.7591  1
]