data_[Ta2Mn2Si4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ta  1.5000  1.4500  0.8200
  Mn  1.5500  1.4000  0.6483
  Si  1.9000  1.1000  0.5400
]
_symmetry_space_group_name_H-M [Cm]
_cell_length_a [9.4090]
_cell_length_b [2.8011]
_cell_length_c [4.5160]
_cell_angle_alpha [90.0000]
_cell_angle_beta [106.8369]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [8]
_chemical_formula_structural [TaMnSi2]
_chemical_formula_sum '[Ta2 Mn2 Si4]'
_cell_volume [113.9177]
_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
[
  Ta  Ta0  2  0.4879  0.0000  0.4303  1
  Mn  Mn1  2  0.2634  0.0000  0.8205  1
  Si  Si2  2  0.0089  0.0000  0.9431  1
  Si  Si3  2  0.2399  0.5000  0.3060  1
]