data_[Ta12Mn2Mo6]
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
  Mo  2.1600  1.4500  0.7750
]
_symmetry_space_group_name_H-M [P2_1/m]
_cell_length_a [7.8848]
_cell_length_b [4.5550]
_cell_length_c [9.6540]
_cell_angle_alpha [90.0000]
_cell_angle_beta [105.6587]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [Ta6MnMo3]
_chemical_formula_sum '[Ta12 Mn2 Mo6]'
_cell_volume [333.8635]
_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  0.0535  0.7500  0.8941  1
  Ta  Ta1  2  0.1468  0.2500  0.6901  1
  Ta  Ta2  2  0.1502  0.7500  0.2022  1
  Ta  Ta3  2  0.2408  0.7500  0.5028  1
  Ta  Ta4  2  0.3532  0.2500  0.3064  1
  Ta  Ta5  2  0.4558  0.7500  0.1015  1
  Mn  Mn6  2  0.0496  0.2500  0.4025  1
  Mo  Mo7  2  0.2461  0.2500  0.0002  1
  Mo  Mo8  2  0.3476  0.7500  0.7980  1
  Mo  Mo9  2  0.4503  0.2500  0.5999  1
]