data_[Cr2Tc10P6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Cr  1.6600  1.4000  0.9400
  Tc  1.9000  1.3500  0.7417
  P  2.1900  1.0000  0.5500
]
_symmetry_space_group_name_H-M [P2/m]
_cell_length_a [7.0549]
_cell_length_b [4.0585]
_cell_length_c [8.4029]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0626]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [10]
_chemical_formula_structural [CrTc5P3]
_chemical_formula_sum '[Cr2 Tc10 P6]'
_cell_volume [240.5947]
_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
[
  Cr  Cr0  2  0.3351  0.0000  0.2588  1
  Tc  Tc1  2  0.1668  0.5000  0.4207  1
  Tc  Tc2  2  0.1668  0.5000  0.0909  1
  Tc  Tc3  2  0.1671  0.5000  0.7567  1
  Tc  Tc4  2  0.3358  0.0000  0.5901  1
  Tc  Tc5  2  0.3395  0.0000  0.9252  1
  P  P6  2  0.0077  0.0000  0.3268  1
  P  P7  2  0.4916  0.5000  0.1827  1
  P  P8  1  0.0000  0.0000  0.0000  1
  P  P9  1  0.5000  0.5000  0.5000  1
]