data_[Ta1Mn1H1Os2]
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
  H  2.2000  0.2500  0.0000
  Os  2.2000  1.3000  0.6730
]
_symmetry_space_group_name_H-M [P4/mmm]
_cell_length_a [3.9851]
_cell_length_b [3.9851]
_cell_length_c [3.8304]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [123]
_chemical_formula_structural [TaMnHOs2]
_chemical_formula_sum '[Ta1 Mn1 H1 Os2]'
_cell_volume [60.8302]
_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  0.5000  0.5000  0.5000  1.0
  Mn  Mn1  1  0.0000  0.0000  0.5000  1.0
  Os  Os2  2  0.0000  0.5000  0.0000  1.0
  H  H3  1  0.0000  0.0000  0.0000  1.0
]