data_[Cr3Te8W1]
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
  W  2.3600  1.3500  0.7667
]
_symmetry_space_group_name_H-M [Pm]
_cell_length_a [6.1244]
_cell_length_b [18.5872]
_cell_length_c [7.1119]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.1111]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [6]
_chemical_formula_structural [Cr3Te8W]
_chemical_formula_sum '[Cr3 Te8 W1]'
_cell_volume [809.5860]
_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  1  0.0010  0.5000  0.5108  1
  Cr  Cr1  1  0.0020  0.5000  0.9948  1
  Cr  Cr2  1  0.5025  0.5000  0.2566  1
  Te  Te3  2  0.1584  0.4035  0.7493  1
  Te  Te4  2  0.1665  0.4095  0.2543  1
  Te  Te5  2  0.6639  0.4073  0.0052  1
  Te  Te6  2  0.6737  0.4054  0.4944  1
  W  W7  1  0.4928  0.5000  0.7414  1
]