data_BeCr2As
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.53
_cell_length_b   4.53
_cell_length_c   4.53
_cell_angle_alpha   138.0
_cell_angle_beta   130.85
_cell_angle_gamma   66.59
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BeCr2As
_chemical_formula_sum   'Be1 Cr2 As1'
_cell_volume   46.4
_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  Be1  1  0.0  0.0  0.69  1.0
  Cr  Cr2  1  0.62  0.0  0.07  1.0
  Cr  Cr3  1  0.0  0.0  0.83  1.0
  As  As0  1  0.62  0.0  0.77  1.0

data_BeCr2As
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.25
_cell_length_b   3.77
_cell_length_c   4.53
_cell_angle_alpha   114.57
_cell_angle_beta   111.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BeCr2As
_chemical_formula_sum   'Be1 Cr2 As1'
_cell_volume   46.4
_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  0.0  0.69  0.69  1.0
  Cr  Cr1  1  0.0  0.07  0.45  1.0
  Cr  Cr2  1  0.0  0.83  0.83  1.0
  As  As3  1  0.0  0.77  0.15  1.0

Be Cr Cr As