data_[Rb1Ni3Te4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Rb  0.8200  2.3500  1.6600
  Ni  1.9100  1.3500  0.7400
  Te  2.1000  1.4000  1.2933
]
_symmetry_space_group_name_H-M [Pmm2]
_cell_length_a [3.7826]
_cell_length_b [6.4791]
_cell_length_c [21.0348]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [25]
_chemical_formula_structural [RbNi3Te4]
_chemical_formula_sum '[Rb1 Ni3 Te4]'
_cell_volume [515.5208]
_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
[
  Rb  Rb0  1  0.5000  0.0000  0.3248  1
  Ni  Ni1  2  0.5000  0.2001  0.5288  1
  Ni  Ni2  1  0.0000  0.5000  0.5356  1
  Te  Te3  2  0.0000  0.2589  0.4411  1
  Te  Te4  1  0.0000  0.0000  0.5879  1
  Te  Te5  1  0.5000  0.5000  0.6117  1
]