data_[Zr2Tc2As4]
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
  As  2.1800  1.1500  0.6600
]
_symmetry_space_group_name_H-M [Cm]
_cell_length_a [9.2821]
_cell_length_b [3.2617]
_cell_length_c [4.7319]
_cell_angle_alpha [90.0000]
_cell_angle_beta [104.9361]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [8]
_chemical_formula_structural [ZrTcAs2]
_chemical_formula_sum '[Zr2 Tc2 As4]'
_cell_volume [138.4182]
_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  0.2532  0.0000  0.8068  1
  Tc  Tc1  2  0.4867  0.0000  0.4092  1
  As  As2  2  0.2639  0.5000  0.3108  1
  As  As3  2  0.4962  0.5000  0.9732  1
]