data_[Ta2Cr1Te1]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ta  1.5000  1.4500  0.8200
  Cr  1.6600  1.4000  0.9400
  Te  2.1000  1.4000  1.2933
]
_symmetry_space_group_name_H-M [Pm]
_cell_length_a [3.1801]
_cell_length_b [4.4708]
_cell_length_c [5.2536]
_cell_angle_alpha [90.0000]
_cell_angle_beta [105.2945]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [6]
_chemical_formula_structural [Ta2CrTe]
_chemical_formula_sum '[Ta2 Cr1 Te1]'
_cell_volume [72.0478]
_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
[
  Ta  Ta0  1  0.0423  0.0000  0.9678  1
  Ta  Ta1  1  0.7820  0.5000  0.2365  1
  Cr  Cr2  1  0.3288  0.5000  0.7868  1
  Te  Te3  1  0.3469  0.0000  0.5088  1
]