data_[Be1Tc2Mo1]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Be  1.5700  1.0500  0.5900
  Tc  1.9000  1.3500  0.7417
  Mo  2.1600  1.4500  0.7750
]
_symmetry_space_group_name_H-M [Pm]
_cell_length_a [2.7219]
_cell_length_b [3.9916]
_cell_length_c [5.0948]
_cell_angle_alpha [90.0000]
_cell_angle_beta [97.0521]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [6]
_chemical_formula_structural [BeTc2Mo]
_chemical_formula_sum '[Be1 Tc2 Mo1]'
_cell_volume [54.9331]
_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
[
  Be  Be0  1  0.9746  0.0000  0.5008  1
  Tc  Tc1  1  0.5469  0.5000  0.2578  1
  Tc  Tc2  1  0.9964  0.0000  0.0081  1
  Mo  Mo3  1  0.4820  0.5000  0.7334  1
]