data_BeCrIn2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.05
_cell_length_b   4.31
_cell_length_c   5.12
_cell_angle_alpha   90.0
_cell_angle_beta   91.19
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BeCrIn2
_chemical_formula_sum   'Be1 Cr1 In2'
_cell_volume   67.29
_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  0.14  0.0  0.51  1.0
  Cr  Cr1  1  0.1  0.16  0.22  1.0
  In  In2  1  0.64  0.0  0.42  1.0
  In  In3  1  0.6  0.16  0.52  1.0

data_BeCrIn2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.05
_cell_length_b   4.31
_cell_length_c   5.12
_cell_angle_alpha   90.0
_cell_angle_beta   91.19
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BeCrIn2
_chemical_formula_sum   'Be1 Cr1 In2'
_cell_volume   67.29
_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  0.14  0.0  0.51  1.0
  Cr  Cr1  1  0.1  0.16  0.22  1.0
  In  In2  1  0.6  0.16  0.52  1.0
  In  In3  1  0.64  0.0  0.42  1.0

Be Cr In In
Be Cr In In 0 1 o o o 0 2 - o o 0 2 o o o 0 3 - o o 0 3 o o o 1 2 - o o 1 2 o o o 2 3 o o o 