data_[Zr2Tc2Te4As4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Zr  1.3300  1.5500  0.8600
  Tc  1.9000  1.3500  0.7417
  Te  2.1000  1.4000  1.2933
  As  2.1800  1.1500  0.6600
]
_symmetry_space_group_name_H-M [Imm2]
_cell_length_a [3.7613]
_cell_length_b [5.3862]
_cell_length_c [12.9665]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [44]
_chemical_formula_structural [ZrTc(TeAs)2]
_chemical_formula_sum '[Zr2 Tc2 Te4 As4]'
_cell_volume [262.6933]
_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
[
  Zr  Zr0  2  0.0000  0.0000  0.6170  1
  Tc  Tc1  2  0.0000  0.0000  0.3896  1
  Te  Te2  2  0.0000  0.5000  0.2953  1
  Te  Te3  2  0.0000  0.5000  0.7218  1
  As  As4  4  0.0000  0.2592  0.9881  1
]