data_[Cr3Te5]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Cr  1.6600  1.4000  0.9400
  Te  2.1000  1.4000  1.2933
]
_symmetry_space_group_name_H-M [P4mm]
_cell_length_a [7.1110]
_cell_length_b [7.1110]
_cell_length_c [18.3372]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [99]
_chemical_formula_structural [Cr3Te5]
_chemical_formula_sum '[Cr3 Te5]'
_cell_volume [927.2380]
_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
[
  Cr  Cr0  2  0.0000  0.5000  0.5116  1
  Cr  Cr1  1  0.0000  0.0000  0.5080  1
  Te  Te2  4  0.2445  0.2445  0.4574  1
  Te  Te3  1  0.0000  0.0000  0.6393  1
]